2-(hydroxymethyl)-N-(3-phenylphenyl)piperidine-1-carboxamide

• ChemBase ID: 722933
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: C(=O)(N1C(CO)CCCC1)Nc1cc(c2ccccc2)ccc1
• Canonical SMILES: OCC1CCCCN1C(=O)Nc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C19H22N2O2/c22-14-18-11-4-5-12-21(18)19(23)20-17-10-6-9-16(13-17)15-7-2-1-3-8-15/h1-3,6-10,13,18,22H,4-5,11-12,14H2,(H,20,23)
• InChIKey: LKGSGOPFEZLDJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydroxymethyl)-N-(3-phenylphenyl)piperidine-1-carboxamide
• IUPAC Traditional name: 2-(hydroxymethyl)-N-(3-phenylphenyl)piperidine-1-carboxamide
• Synonyms: N-biphenyl-3-yl-2-(hydroxymethyl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.238305
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1920192
• LogD (pH = 7.4): 3.1920187
• Log P: 3.1920192
• Molar Refractivity: 92.6318 cm^3
• Polarizability: 36.41217 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.63
• LOG S: -3.71
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 3