2-[(3,3-diphenylpiperidin-1-yl)methyl]-5-methoxypyridin-4-ol

• ChemBase ID: 732233
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: C1(CN(Cc2ncc(c(c2)O)OC)CCC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: COc1cnc(cc1O)CN1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H26N2O2/c1-28-23-16-25-21(15-22(23)27)17-26-14-8-13-24(18-26,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3,(H,25,27)
• InChIKey: NVTYFXQUGCGZIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,3-diphenylpiperidin-1-yl)methyl]-5-methoxypyridin-4-ol
• IUPAC Traditional name: 2-[(3,3-diphenylpiperidin-1-yl)methyl]-5-methoxypyridin-4-ol
• Synonyms: 2-[(3,3-diphenylpiperidin-1-yl)methyl]-5-methoxypyridin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.411775
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0370207
• LogD (pH = 7.4): 3.7291265
• Log P: 4.178153
• Molar Refractivity: 122.0618 cm^3
• Polarizability: 43.530632 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.29
• LOG S: -4.08
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 5