{4-[(4-methoxyphenyl)methyl]-1-(quinolin-2-yl)piperidin-4-yl}methanol

• ChemBase ID: 514957
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: n1c(N2CCC(Cc3ccc(cc3)OC)(CC2)CO)ccc2c1cccc2
• Canonical SMILES: COc1ccc(cc1)CC1(CO)CCN(CC1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C23H26N2O2/c1-27-20-9-6-18(7-10-20)16-23(17-26)12-14-25(15-13-23)22-11-8-19-4-2-3-5-21(19)24-22/h2-11,26H,12-17H2,1H3
• InChIKey: BYOXCIRWBMSYDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(4-methoxyphenyl)methyl]-1-(quinolin-2-yl)piperidin-4-yl}methanol
• IUPAC Traditional name: {4-[(4-methoxyphenyl)methyl]-1-(quinolin-2-yl)piperidin-4-yl}methanol
• Synonyms: [4-(4-methoxybenzyl)-1-quinolin-2-ylpiperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.094916
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9591045
• LogD (pH = 7.4): 4.400615
• Log P: 4.410764
• Molar Refractivity: 108.821 cm^3
• Polarizability: 42.93741 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: 3
• H Donor: 1
• Log P: 2.98
• LOG S: -4.39
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 5