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4-(piperidin-3-yl)benzoic acid hydrochloride - 97%, high purity , CAS No.2044705-22-6
Discover 4-(piperidin-3-yl)benzoic acid hydrochloride by Aladdin Scientific in 97% for only $1,974.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-(Piperidin-3-yl)benzoic acid hydrochloride | 2044705-22-6 | 3-(4-CARBOXYPHENYL)PIPERIDINE HCL | 4-piperidin-3-ylbenzoic acid;hydrochloride | MFCD08460730 | 3-(4-Carboxyphenyl)piperidine hydrochloride | Benzoic acid, 4-(3-piperidinyl)-, hydrochloride (1:1) | AMY34897 |
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Phenylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperidines
Alternative Parents
Benzoic acids Benzoyl derivatives Aralkylamines Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperidine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-piperidin-3-ylbenzoic acid;hydrochloride
INCHI
InChI=1S/C12H15NO2.ClH/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2,(H,14,15);1H
InChIKey
FTAAPDIIUFMVKX-UHFFFAOYSA-N
Smiles
C1CC(CNC1)C2=CC=C(C=C2)C(=O)O.Cl
Isomeric SMILES
C1CC(CNC1)C2=CC=C(C=C2)C(=O)O.Cl
PubChem CID
92134870
Molecular Weight
241.72
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
241.710 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
241.087 Da
Monoisotopic Mass
241.087 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
222.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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