{4-[(4-methoxyphenyl)methyl]-1-(quinoline-6-carbonyl)piperidin-4-yl}methanol

• ChemBase ID: 698258
• Molecular Formular: C24H26N2O3
• Molecular Mass: 390.47484
• Monoisotopic Mass: 390.1943427
• SMILES: C(=O)(N1CCC(Cc2ccc(cc2)OC)(CC1)CO)c1cc2c(nccc2)cc1
• Canonical SMILES: COc1ccc(cc1)CC1(CO)CCN(CC1)C(=O)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C24H26N2O3/c1-29-21-7-4-18(5-8-21)16-24(17-27)10-13-26(14-11-24)23(28)20-6-9-22-19(15-20)3-2-12-25-22/h2-9,12,15,27H,10-11,13-14,16-17H2,1H3
• InChIKey: CUGWPVCMPNCHQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(4-methoxyphenyl)methyl]-1-(quinoline-6-carbonyl)piperidin-4-yl}methanol
• IUPAC Traditional name: {4-[(4-methoxyphenyl)methyl]-1-(quinoline-6-carbonyl)piperidin-4-yl}methanol
• Synonyms: [4-(4-methoxybenzyl)-1-(quinolin-6-ylcarbonyl)piperidin-4-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.094914
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9929817
• LogD (pH = 7.4): 3.0060856
• Log P: 3.0062554
• Molar Refractivity: 112.9507 cm^3
• Polarizability: 44.602665 Å^3
• Polar Surface Area: 62.66 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: 2.23
• LOG S: -3.95
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 5