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

• ChemBase ID: 863915
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(Cc2ncccc2)C(CCCOC)CCCC1
• Canonical SMILES: COCCCC1CCCCN1Cc1ccccn1
• InChI: InChI=1S/C15H24N2O/c1-18-12-6-9-15-8-3-5-11-17(15)13-14-7-2-4-10-16-14/h2,4,7,10,15H,3,5-6,8-9,11-13H2,1H3
• InChIKey: NPRLHHZIWLAQDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5612453
• LogD (pH = 7.4): 1.2046257
• Log P: 2.2189221
• Molar Refractivity: 74.2873 cm^3
• Polarizability: 29.343586 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