4-(6-methoxypyridin-2-yl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol

• ChemBase ID: 510321
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: c1(cc(c2nc(OC)ccc2)ccc1O)CN1CCC(CC1)c1ccccc1
• Canonical SMILES: COc1cccc(n1)c1ccc(c(c1)CN1CCC(CC1)c1ccccc1)O
• InChI: InChI=1S/C24H26N2O2/c1-28-24-9-5-8-22(25-24)20-10-11-23(27)21(16-20)17-26-14-12-19(13-15-26)18-6-3-2-4-7-18/h2-11,16,19,27H,12-15,17H2,1H3
• InChIKey: BILLBGUYPUIXEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methoxypyridin-2-yl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol
• IUPAC Traditional name: 4-(6-methoxypyridin-2-yl)-2-[(4-phenylpiperidin-1-yl)methyl]phenol
• Synonyms: 4-(6-methoxy-2-pyridinyl)-2-[(4-phenyl-1-piperidinyl)methyl]phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.5844817
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9793547
• LogD (pH = 7.4): 3.4120188
• Log P: 3.7818832
• Molar Refractivity: 112.7512 cm^3
• Polarizability: 44.935116 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: 5.12
• LOG S: -5.23
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 4