N-benzylpiperidine-4-carboxamide

• ChemBase ID: 311632
• Molecular Formular: C13H18N2O
• Molecular Mass: 218.29482
• Monoisotopic Mass: 218.14191321
• SMILES: C(=O)(NCc1ccccc1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)NCc1ccccc1
• InChI: InChI=1S/C13H18N2O/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)
• InChIKey: KKXCMMIWHOYQCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylpiperidine-4-carboxamide
• IUPAC Traditional name: N-benzylpiperidine-4-carboxamide
• Synonyms: N-benzylpiperidine-4-carboxamide

Database IDs

• CAS Number: 101264-48-6
• MDL Number: MFCD05863701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2045326
• LogD (pH = 7.4): -1.620105
• Log P: 1.0214387
• Molar Refractivity: 64.4068 cm^3
• Polarizability: 25.22757 Å^3
• Polar Surface Area: 41.13 Å^2