1-methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol

• ChemBase ID: 817745
• Molecular Formular: C16H20N2O
• Molecular Mass: 256.3428
• Monoisotopic Mass: 256.15756327
• SMILES: n1c2c(cc(C3(CCN(CC3)C)O)cc2)ccc1C
• Canonical SMILES: CN1CCC(CC1)(O)c1ccc2c(c1)ccc(n2)C
• InChI: InChI=1S/C16H20N2O/c1-12-3-4-13-11-14(5-6-15(13)17-12)16(19)7-9-18(2)10-8-16/h3-6,11,19H,7-10H2,1-2H3
• InChIKey: QZOVBZNOGAADEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol
• IUPAC Traditional name: 1-methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol
• Synonyms: 1-methyl-4-(2-methylquinolin-6-yl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.961835
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5527474
• LogD (pH = 7.4): 0.27887073
• Log P: 1.4454957
• Molar Refractivity: 76.7274 cm^3
• Polarizability: 31.222221 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.13
• LOG S: -1.03
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 1