1-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]piperidin-4-ol

• ChemBase ID: 757362
• Molecular Formular: C19H24ClN3O
• Molecular Mass: 345.86636
• Monoisotopic Mass: 345.16079008
• SMILES: n1c(N2CCC(N3CCC(CC3)O)CC2)ccc2c1c(Cl)ccc2
• Canonical SMILES: OC1CCN(CC1)C1CCN(CC1)c1ccc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C19H24ClN3O/c20-17-3-1-2-14-4-5-18(21-19(14)17)23-10-6-15(7-11-23)22-12-8-16(24)9-13-22/h1-5,15-16,24H,6-13H2
• InChIKey: WWHHCDQRGDLJEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]piperidin-4-ol
• IUPAC Traditional name: 1-[1-(8-chloroquinolin-2-yl)piperidin-4-yl]piperidin-4-ol
• Synonyms: 1'-(8-chloro-2-quinolinyl)-1,4'-bipiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179258
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.49174482
• LogD (pH = 7.4): 1.0449859
• Log P: 2.7823122
• Molar Refractivity: 98.7016 cm^3
• Polarizability: 39.072197 Å^3
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.05
• LOG S: -1.61
• Polar Surface Area: 39.6 Å^2
• Rotatable Bonds: 2