(3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one , CAS No.1375794-72-1

CAS: 1375794-72-1 Cat. No.: S669867 Molecular Weight: 340.26 PubChem CID: 72195954

Storage

Room temperature

Specifications

Storage

Room temperature

Product Properties

• ALogP: 2.6

Names and Identifiers

• Canonical Smiles: C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](N)C(=O)N1CC(F)(F)F
• IUPAC Name: (3S,5S,6R)-3-amino-6-methyl-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
• InChIKey: FKHWYPJKQIRGFB-XSSZXYGBSA-N
• INCHI: 1S/C14H14F6N2O/c1-6-7(11-8(15)2-3-9(16)12(11)17)4-10(21)13(23)22(6)5-14(18,19)20/h2-3,6-7,10H,4-5,21H2,1H3/t6-,7-,10+/m1/s1
• Isomeric SMILES: C[C@@H]1[C@@H](C[C@@H](C(=O)N1CC(F)(F)F)N)C2=C(C=CC(=C2F)F)F
• PubChem CID: 72195954
• Molecular Weight: 340.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Alpha amino acids and derivatives Piperidinones Fluorobenzenes Delta lactams Aralkylamines Aminopiperidines Aryl fluorides Tertiary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Alpha-amino acid or derivatives - 3-aminopiperidine - Aralkylamine - Delta-lactam - Piperidinone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organofluoride - Organooxygen compound - Primary amine - Organonitrogen compound - Alkyl halide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Amine - Primary aliphatic amine - Organohalogen 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.

DOI: 10.1186/s13321-016-0174-y