1-(2,2-diphenylethyl)-4-(pyridin-3-yl)piperidin-4-ol

• ChemBase ID: 786449
• Molecular Formular: C24H26N2O
• Molecular Mass: 358.47604
• Monoisotopic Mass: 358.20451346
• SMILES: C1(c2cnccc2)(CCN(CC(c2ccccc2)c2ccccc2)CC1)O
• Canonical SMILES: OC1(CCN(CC1)CC(c1ccccc1)c1ccccc1)c1cccnc1
• InChI: InChI=1S/C24H26N2O/c27-24(22-12-7-15-25-18-22)13-16-26(17-14-24)19-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,15,18,23,27H,13-14,16-17,19H2
• InChIKey: DFOXGBPBNRLHAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diphenylethyl)-4-(pyridin-3-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(2,2-diphenylethyl)-4-(pyridin-3-yl)piperidin-4-ol
• Synonyms: 1-(2,2-diphenylethyl)-4-pyridin-3-ylpiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.787304
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.051099516
• LogD (pH = 7.4): 1.3953373
• Log P: 3.4507096
• Molar Refractivity: 109.9919 cm^3
• Polarizability: 42.901966 Å^3
• Polar Surface Area: 36.36 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: 2.63
• LOG S: -3.05
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 5