(3R,4R)-4-[(6-chloro-8-methylquinolin-4-yl)amino]piperidin-3-ol

• ChemBase ID: 354463
• Molecular Formular: C15H18ClN3O
• Molecular Mass: 291.77592
• Monoisotopic Mass: 291.11383989
• SMILES: c12c(c(cc(c2)Cl)C)nccc1N[C@H]1[C@H](O)CNCC1
• Canonical SMILES: O[C@@H]1CNCC[C@H]1Nc1ccnc2c1cc(Cl)cc2C
• InChI: InChI=1S/C15H18ClN3O/c1-9-6-10(16)7-11-12(3-5-18-15(9)11)19-13-2-4-17-8-14(13)20/h3,5-7,13-14,17,20H,2,4,8H2,1H3,(H,18,19)/t13-,14-/m1/s1
• InChIKey: KUQGZNMJXNCOOX-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-[(6-chloro-8-methylquinolin-4-yl)amino]piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-4-[(6-chloro-8-methylquinolin-4-yl)amino]piperidin-3-ol
• Synonyms: (3R*,4R*)-4-[(6-chloro-8-methylquinolin-4-yl)amino]piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.228686
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.6681275
• LogD (pH = 7.4): -0.46947685
• Log P: 1.6746082
• Molar Refractivity: 81.2726 cm^3
• Polarizability: 32.324493 Å^3
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.26
• LOG S: -2.25
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 2