N-(1-benzyl-4-piperidyl)-2,2,2-trifluoro-acetamide - ≥97% , CAS No.97181-50-5

CAS: 97181-50-5 Cat. No.: N636166 Peso molecular: 286.29 PubChem CID: 1531300

GRADE & PURITY ≥97%

Synonyms

N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoroacetamide | 97181-50-5 | SCHEMBL5402061 | MFCD03759432 | STK453900 | AKOS003301723 | 4-trifluoroacetamido-1-benzylpiperidine | NCGC00319548-01 | n-(1-benzylpiperidin-4-yl)trifluoroacetamide | N-(1-Benzyl-4-piperid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(1-benzylpiperidin-4-yl)-2, 2, 2-trifluoroacetamide | 97181-50-5 | SCHEMBL5402061 | MFCD03759432 | STK453900 | AKOS003301723 | 4-trifluoroacetamido-1-benzylpiperidine | NCGC00319548-01 | n-(1-benzylpiperidin-4-yl)trifluoroacetamide | N-(1-Benzyl-4-piperid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCC1NC(=O)C(F)(F)F)CC2=CC=CC=C2
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-2,2,2-trifluoroacetamide
• InChIKey: UIUDAKGVCDDOPP-UHFFFAOYSA-N
• INCHI: 1S/C14H17F3N2O/c15-14(16,17)13(20)18-12-6-8-19(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,20)
• Isómeros SMILES: C1CN(CCC1NC(=O)C(F)(F)F)CC2=CC=CC=C2
• PubChem CID: 1531300
• Peso molecular: 286.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Amine - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 286.290 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 286.129 Da
• Monoisotopic Mass: 286.129 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 319.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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