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(3s,4r)-rel-1-boc-3-fluoro-4-(hydroxymethyl)piperidine - 97%, high purity , CAS No.882033-93-4
Basic Description
Synonyms
1523530-73-5 | 882033-93-4 | tert-butyl (3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate | (3S,4R)-rel-1-Boc-3-fluoro-4-(hydroxymethyl)piperidine | (3R,4S)-tert-butyl 3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate | (cis)-tert-Butyl 3-fluoro-4-(hydrox
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alcohols and polyols
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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
tert-butyl (3R,4S)-3-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
INCHI
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-8(7-14)9(12)6-13/h8-9,14H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKey
UIACYDBUYRFVMD-IUCAKERBSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(C(C1)F)CO
Isomeric SMILES
CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)F)CO
PubChem CID
60165715
Molecular Weight
233.283
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
233.280 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
233.143 Da
Monoisotopic Mass
233.143 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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