1-[2-hydroxy-2-(pyridin-2-yl)ethyl]-5,5-diphenylpiperidin-2-one

• ChemBase ID: 617312
• Molecular Formular: C24H24N2O2
• Molecular Mass: 372.45956
• Monoisotopic Mass: 372.18377802
• SMILES: N1(CC(CCC1=O)(c1ccccc1)c1ccccc1)CC(c1ncccc1)O
• Canonical SMILES: O=C1CCC(CN1CC(c1ccccn1)O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H24N2O2/c27-22(21-13-7-8-16-25-21)17-26-18-24(15-14-23(26)28,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,22,27H,14-15,17-18H2
• InChIKey: GNANROVKSACGNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-hydroxy-2-(pyridin-2-yl)ethyl]-5,5-diphenylpiperidin-2-one
• IUPAC Traditional name: 1-[2-hydroxy-2-(pyridin-2-yl)ethyl]-5,5-diphenylpiperidin-2-one
• Synonyms: 1-(2-hydroxy-2-pyridin-2-ylethyl)-5,5-diphenylpiperidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.404789
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1629546
• LogD (pH = 7.4): 3.208725
• Log P: 3.209344
• Molar Refractivity: 119.2808 cm^3
• Polarizability: 42.61575 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -2.88
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 5