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

• ChemBase ID: 758745
• Molecular Formular: C15H23N3
• Molecular Mass: 245.36322
• Monoisotopic Mass: 245.18919775
• SMILES: N1(CC(N2CCCC2)CCC1)Cc1cnccc1
• Canonical SMILES: c1ccc(cn1)CN1CCCC(C1)N1CCCC1
• InChI: InChI=1S/C15H23N3/c1-2-10-18(9-1)15-6-4-8-17(13-15)12-14-5-3-7-16-11-14/h3,5,7,11,15H,1-2,4,6,8-10,12-13H2
• InChIKey: YJFCYCQTJQNOEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.066296
• LogD (pH = 7.4): -0.8925647
• Log P: 1.5869766
• Molar Refractivity: 75.2151 cm^3
• Polarizability: 29.462847 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.56
• LOG S: -0.3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3