1-Benzylpiperidine-4-carboxamide

HCID 783156CAS 62992-68-1

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Basic information

Standard SMILES: NC(=O)C1CCN(Cc2ccccc2)CC1
InChIKey: ARYICIJWHSZXTO-UHFFFAOYSA-N
Molecular formula: C13H18N2O
Average molar mass: 218.29 g/mol
Monoisotopic mass: 218.1419132

Names & identifiers

Preferred name: 1-Benzylpiperidine-4-carboxamide
IUPAC: 1-benzylpiperidine-4-carboxamide
English name: 1-Benzylpiperidine-4-carboxyamide
Molecular formula: C13H18N2O
Molecular weight: 218.29

Names & synonyms

1-benzylpiperidine-4-carboxamide62992-68-11-Benzylpiperidine-4-carboxyamide1-(phenylmethyl)-4-piperidinecarboxamide1-Benzylpiperdine-4-carboxyamideMFCD009794714-Piperidinecarboxamide, 1-(phenylmethyl)-1-Benzyl-piperidine-4-carboxylic acid amide1-benzyl-4-piperidine carboxamideSDCCGMLS-0064507.P0011-benzylisonipecotamideCambridge id 5427607

Show more names

Oprea1_111534SCHEMBL5186861-benzyl-4-carbamoylpiperidine1-benzyl-4-piperidinylcarboxamideDTXSID20354810ARYICIJWHSZXTO-UHFFFAOYSA-NHMS1581E13ALBB-032046

Database identifiers

CAS: 62992-68-1
PubChem CID: 783156
DTXSID: DTXSID20354810

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 161 °C · 161 °C
Boiling point: 390.4 · 390.4±31.0 °C(Predicted)
Density: 1.123 · 1.123±0.06 g/cm3(Predicted)
pka: 16.44 · 16.44±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338