4-phenylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 275308
• Molecular Formular: C12H17ClN2O
• Molecular Mass: 240.72918
• Monoisotopic Mass: 240.10294085
• SMILES: C1(C(=O)N)(c2ccccc2)CCNCC1.Cl
• Canonical SMILES: NC(=O)C1(CCNCC1)c1ccccc1.Cl
• InChI: InChI=1S/C12H16N2O.ClH/c13-11(15)12(6-8-14-9-7-12)10-4-2-1-3-5-10;/h1-5,14H,6-9H2,(H2,13,15);1H
• InChIKey: LZWFVOQSFVFPJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpiperidine-4-carboxamide hydrochloride
• IUPAC Traditional name: 4-phenylpiperidine-4-carboxamide hydrochloride
• Synonyms: 4-phenylpiperidine-4-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD00035305
• PubChem SID: 164331218
• PubChem CID: 3017129

CALCULATED PROPERTIES

• Acid pKa: 16.428577
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4453206
• LogD (pH = 7.4): -1.6117367
• Log P: 0.76310784
• Molar Refractivity: 59.4935 cm^3
• Polarizability: 23.38331 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 0.056

Product Information

• Purity: 95%