2-[3-(3-methoxypropyl)piperidin-1-yl]quinoline

• ChemBase ID: 513836
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: n1c(N2CC(CCC2)CCCOC)ccc2c1cccc2
• Canonical SMILES: COCCCC1CCCN(C1)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C18H24N2O/c1-21-13-5-7-15-6-4-12-20(14-15)18-11-10-16-8-2-3-9-17(16)19-18/h2-3,8-11,15H,4-7,12-14H2,1H3
• InChIKey: LEUQGJYGAUFSJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3-methoxypropyl)piperidin-1-yl]quinoline
• IUPAC Traditional name: 2-[3-(3-methoxypropyl)piperidin-1-yl]quinoline
• Synonyms: 2-[3-(3-methoxypropyl)-1-piperidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6941423
• LogD (pH = 7.4): 4.134231
• Log P: 4.144326
• Molar Refractivity: 87.2169 cm^3
• Polarizability: 34.670353 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.46
• LOG S: -3.38
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5