(3R,4R)-4-[(6-chloroquinolin-2-yl)amino]piperidin-3-ol

• ChemBase ID: 632390
• Molecular Formular: C14H16ClN3O
• Molecular Mass: 277.74934
• Monoisotopic Mass: 277.09818983
• SMILES: n1c(N[C@H]2[C@H](O)CNCC2)ccc2c1ccc(c2)Cl
• Canonical SMILES: O[C@@H]1CNCC[C@H]1Nc1ccc2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C14H16ClN3O/c15-10-2-3-11-9(7-10)1-4-14(17-11)18-12-5-6-16-8-13(12)19/h1-4,7,12-13,16,19H,5-6,8H2,(H,17,18)/t12-,13-/m1/s1
• InChIKey: GOHWJAKRCKVMJN-CHWSQXEVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-[(6-chloroquinolin-2-yl)amino]piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-4-[(6-chloroquinolin-2-yl)amino]piperidin-3-ol
• Synonyms: (3R*,4R*)-4-[(6-chloroquinolin-2-yl)amino]piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.226128
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.5063903
• LogD (pH = 7.4): -0.18699527
• Log P: 1.7556443
• Molar Refractivity: 76.5449 cm^3
• Polarizability: 30.560415 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: 0.97
• LOG S: -1.05
• Polar Surface Area: 57.18 Å^2
• Rotatable Bonds: 2