N-(2-phenylethyl)piperidine-4-carboxamide

• ChemBase ID: 311627
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: C(=O)(NCCc1ccccc1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)NCCc1ccccc1
• InChI: InChI=1S/C14H20N2O/c17-14(13-7-9-15-10-8-13)16-11-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2,(H,16,17)
• InChIKey: VCFBMPIDYRJPSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-phenylethyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(2-phenylethyl)piperidine-4-carboxamide
• Synonyms: N-(2-phenylethyl)piperidine-4-carboxamide

Database IDs

• CAS Number: 37978-09-9
• MDL Number: MFCD02922451

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9158715
• LogD (pH = 7.4): -1.331444
• Log P: 1.3101
• Molar Refractivity: 69.1618 cm^3
• Polarizability: 27.07422 Å^3
• Polar Surface Area: 41.13 Å^2