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3-benzylpiperidines

Description:

Organic compounds containing a benzyl group attached to the 3-position of a piperidine.
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  1. 3-(4-Methoxybenzyl)piperidine
      Grade & Purity: 
    • ≥95%
    Cas Number: 136422-65-6        Compound CID:  3818672
    Formula:  C13H19NO        Molecular Weight: 205.3
    IUPAC Name:  3-[(4-methoxyphenyl)methyl]piperidine
    SMILES:  COC1=CC=C(C=C1)CC2CCCNC2
    InChIKey: MEMNAZVIXVXAJS-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H19NO/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12/h4-7,12,14H,2-3,8-10H2,1H3
  2. 1-tert-Butyl 3-methyl 3-benzyl-4-oxopiperidine-1,3-dicarboxylate
      Grade & Purity: 
    • ≥95%
    Cas Number: 193274-00-9        Compound CID:  53420138
    Formula:  C19H25NO5        Molecular Weight: 347.4
    IUPAC Name:  1-O-tert-butyl 3-O-methyl 3-benzyl-4-oxopiperidine-1,3-dicarboxylate
    SMILES:  CC(C)(C)OC(=O)N1CCC(=O)C(C1)(CC2=CC=CC=C2)C(=O)OC
    InChIKey: RZVFNCJYXSLWPA-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H25NO5/c1-18(2,3)25-17(23)20-11-10-15(21)19(13-20,16(22)24-4)12-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3
  3. (S)-3-(4-Fluorobenzyl)Piperidine
      Grade & Purity: 
    • ≥95%
    Cas Number: 275815-80-0        Compound CID:  12174831
    IUPAC Name:  (3S)-3-[(4-fluorophenyl)methyl]piperidine
    SMILES:  C1CC(CNC1)CC2=CC=C(C=C2)F
    InChIKey: WATWKPHWUDHKGA-NSHDSACASA-N
    InChI:  InChI=1S/C12H16FN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2/t11-/m0/s1
  4. 3-(4-fluorobenzyl)piperidinehydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 745817-38-3        Compound CID:  17998836
    Formula:  C12H17ClFN        Molecular Weight: 229.72
    IUPAC Name:  3-[(4-fluorophenyl)methyl]piperidine;hydrochloride
    SMILES:  C1CC(CNC1)CC2=CC=C(C=C2)F.Cl
    InChIKey: MVDNGUDOVPBOPT-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H16FN.ClH/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11;/h3-6,11,14H,1-2,7-9H2;1H
  5. 3-(4-fluorobenzyl)piperidine
      Grade & Purity: 
    • ≥97%
    Cas Number: 382637-47-0        Compound CID:  3432343
    Formula:  C12H16FN        Molecular Weight: 193.26
    IUPAC Name:  3-[(4-fluorophenyl)methyl]piperidine
    SMILES:  C1CC(CNC1)CC2=CC=C(C=C2)F
    InChIKey: WATWKPHWUDHKGA-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H16FN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2
  6. 3-(3-Methoxybenzyl)piperidine Hydrochloride
      Grade & Purity: 
    • ≥97%
    Cas Number: 179480-58-1        Compound CID:  17039513
    Formula:  C13H20ClNO        Molecular Weight: 241.76
    IUPAC Name:  3-[(3-methoxyphenyl)methyl]piperidine;hydrochloride
    SMILES:  COC1=CC=CC(=C1)CC2CCCNC2.Cl
    InChIKey: YYQAQRNCIJUOLX-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H19NO.ClH/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12;/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3;1H
  7. 3-Benzylpiperidine
      Grade & Purity: 
    • ≥96%
    Cas Number: 13603-25-3        Compound CID:  114551
    Formula:  C12H17N        Molecular Weight: 175.28
    IUPAC Name:  3-benzylpiperidine
    SMILES:  C1CC(CNC1)CC2=CC=CC=C2
    InChIKey: BKDMXVREWXKZLB-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H17N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-3,5-6,12-13H,4,7-10H2
  8. Ethyl 3-benzylpiperidine-3-carboxylate
      Grade & Purity: 
    • ≥95%
    Cas Number: 170844-89-0        Compound CID:  3500966
    Formula:  C15H21NO2        Molecular Weight: 247.33
    IUPAC Name:  ethyl 3-benzylpiperidine-3-carboxylate
    SMILES:  CCOC(=O)C1(CCCNC1)CC2=CC=CC=C2
    InChIKey: PSRCBRFNAHXZGZ-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H21NO2/c1-2-18-14(17)15(9-6-10-16-12-15)11-13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3
  9. (3R)-3-benzyl-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 339539-81-0
    Formula:  C18H25NO4        Molecular Weight: 319.4
    IUPAC Name:  (3R)-3-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
    SMILES:  CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2)C(=O)O
    InChIKey: SLWITFDUIZLEJL-GOSISDBHSA-N
    InChI:  InChI=1S/C18H25NO4/c1-17(2,3)23-16(22)19-11-7-10-18(13-19,15(20)21)12-14-8-5-4-6-9-14/h4-6,8-9H,7,10-13H2,1-3H3,(H,20,21)/t18-/m1/s1
  10. 5-benzylpiperidine-2-carboxylic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 1822594-91-1        Compound CID:  15234421
    Formula:  C13H17NO2        Molecular Weight: 219.28
    IUPAC Name:  5-benzylpiperidine-2-carboxylic acid
    SMILES:  C1CC(NCC1CC2=CC=CC=C2)C(=O)O
    InChIKey: SPDWIZCKQWRDTR-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H17NO2/c15-13(16)12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
    Synonyms: 1221793-56-1 | 5-benzylpiperidine-2-carboxylic acid | AB42851 | AB42854 | F85937 | 1822594-91-1
  11. (2S,5R)-5-benzylpiperidine-2-carboxylic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 1221793-56-1        Compound CID:  25417452
    Formula:  C13H17NO2        Molecular Weight: 219.28
    IUPAC Name:  (2S,5R)-5-benzylpiperidine-2-carboxylic acid
    SMILES:  C1CC(NCC1CC2=CC=CC=C2)C(=O)O
    InChIKey: SPDWIZCKQWRDTR-NEPJUHHUSA-N
    InChI:  InChI=1S/C13H17NO2/c15-13(16)12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12+/m1/s1
    Synonyms: (5R)-5-Benzyl-L-Pipecolinic acid | (2s,5r)-5-benzylpiperidine-2-carboxylic acid | 1217683-93-6 | 1221793-56-1 | (5R)-...
  12. (2R,5S)-5-benzylpiperidine-2-carboxylic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 1221793-44-7        Compound CID:  25417454
    Formula:  C13H17NO2        Molecular Weight: 219.28
    IUPAC Name:  (2R,5S)-5-benzylpiperidine-2-carboxylic acid
    SMILES:  C1CC(NCC1CC2=CC=CC=C2)C(=O)O
    InChIKey: SPDWIZCKQWRDTR-NWDGAFQWSA-N
    InChI:  InChI=1S/C13H17NO2/c15-13(16)12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12+/m0/s1
    Synonyms: (5S)-5-Benzyl-D-Pipecolinic acid | 1221793-44-7 | (2r,5s)-5-benzylpiperidine-2-carboxylic acid | (2R,5S)-5-Benzyl-pip...
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