4-amino-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 308238
• Molecular Formular: C12H17N3O
• Molecular Mass: 219.28288
• Monoisotopic Mass: 219.13716218
• SMILES: C(=O)(N1CCC(CC1)N)Nc1ccccc1
• Canonical SMILES: NC1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C12H17N3O/c13-10-6-8-15(9-7-10)12(16)14-11-4-2-1-3-5-11/h1-5,10H,6-9,13H2,(H,14,16)
• InChIKey: HNDPILCFPCXRSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-amino-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-amino-N-phenyl-1-piperidinecarboxamide

Database IDs

• CAS Number: 937602-01-2
• MDL Number: MFCD08729215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4818842
• LogD (pH = 7.4): -1.9129102
• Log P: 0.5359406
• Molar Refractivity: 64.7729 cm^3
• Polarizability: 24.505367 Å^3
• Polar Surface Area: 58.36 Å^2