1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol

• ChemBase ID: 343203
• Molecular Formular: C24H28N2O
• Molecular Mass: 360.49192
• Monoisotopic Mass: 360.22016353
• SMILES: n1c2c(cc(C3(CCN(Cc4c(cccc4C)C)CC3)O)cc2)ccc1C
• Canonical SMILES: Cc1ccc2c(n1)ccc(c2)C1(O)CCN(CC1)Cc1c(C)cccc1C
• InChI: InChI=1S/C24H28N2O/c1-17-5-4-6-18(2)22(17)16-26-13-11-24(27,12-14-26)21-9-10-23-20(15-21)8-7-19(3)25-23/h4-10,15,27H,11-14,16H2,1-3H3
• InChIKey: OOJWUIQAFXTUAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
• IUPAC Traditional name: 1-[(2,6-dimethylphenyl)methyl]-4-(2-methylquinolin-6-yl)piperidin-4-ol
• Synonyms: 1-(2,6-dimethylbenzyl)-4-(2-methylquinolin-6-yl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.961782
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7804667
• LogD (pH = 7.4): 2.303767
• Log P: 4.1968117
• Molar Refractivity: 111.4224 cm^3
• Polarizability: 44.392128 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.48
• LOG S: -3.79
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 3