3-{[2-(3-methoxypropyl)piperidin-1-yl]methyl}pyridine

• ChemBase ID: 462208
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(Cc2cnccc2)C(CCCOC)CCCC1
• Canonical SMILES: COCCCC1CCCCN1Cc1cccnc1
• InChI: InChI=1S/C15H24N2O/c1-18-11-5-8-15-7-2-3-10-17(15)13-14-6-4-9-16-12-14/h4,6,9,12,15H,2-3,5,7-8,10-11,13H2,1H3
• InChIKey: CHSSNNNUUJITJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[2-(3-methoxypropyl)piperidin-1-yl]methyl}pyridine
• IUPAC Traditional name: 3-{[2-(3-methoxypropyl)piperidin-1-yl]methyl}pyridine
• Synonyms: 3-{[2-(3-methoxypropyl)-1-piperidinyl]methyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1265905
• LogD (pH = 7.4): 0.3986784
• Log P: 2.1374502
• Molar Refractivity: 74.8095 cm^3
• Polarizability: 29.342726 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.62
• LOG S: -0.09
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6