(3R,4R)-4-[(2-phenylquinolin-4-yl)amino]piperidin-3-ol

• ChemBase ID: 559287
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: c1(N[C@H]2[C@H](O)CNCC2)cc(nc2c1cccc2)c1ccccc1
• Canonical SMILES: O[C@@H]1CNCC[C@H]1Nc1cc(nc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C20H21N3O/c24-20-13-21-11-10-17(20)23-19-12-18(14-6-2-1-3-7-14)22-16-9-5-4-8-15(16)19/h1-9,12,17,20-21,24H,10-11,13H2,(H,22,23)/t17-,20-/m1/s1
• InChIKey: VKZWNPVTFVIYFR-YLJYHZDGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-[(2-phenylquinolin-4-yl)amino]piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-4-[(2-phenylquinolin-4-yl)amino]piperidin-3-ol
• Synonyms: (3R*,4R*)-4-[(2-phenylquinolin-4-yl)amino]piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.228686
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.1441627
• LogD (pH = 7.4): 0.31755355
• Log P: 2.5902178
• Molar Refractivity: 96.1908 cm^3
• Polarizability: 39.785786 Å^3
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.97
• LOG S: -3.06
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 3