N-methyl-N-phenylpiperidine-4-carboxamide hydrochloride

• ChemBase ID: 266681
• Molecular Formular: C13H19ClN2O
• Molecular Mass: 254.75576
• Monoisotopic Mass: 254.11859092
• SMILES: C(=O)(N(c1ccccc1)C)C1CCNCC1.Cl
• Canonical SMILES: CN(c1ccccc1)C(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C13H18N2O.ClH/c1-15(12-5-3-2-4-6-12)13(16)11-7-9-14-10-8-11;/h2-6,11,14H,7-10H2,1H3;1H
• InChIKey: BIAIMXIXESFZFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16040026
• PubChem SID: 164322591
• PubChem CID: 47002787

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0473702
• LogD (pH = 7.4): -1.4629226
• Log P: 1.1786002
• Molar Refractivity: 64.4685 cm^3
• Polarizability: 25.217861 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 163 - 165°C
• Hydrophobicity(logP): 0.719

Product Information

• Purity: 95%