4-(2-methoxyphenoxy)-1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidine

• ChemBase ID: 640215
• Molecular Formular: C21H25N3O2
• Molecular Mass: 351.4421
• Monoisotopic Mass: 351.19467706
• SMILES: c1(nc(n2c1cccc2)C)CN1CCC(Oc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)Cc1nc(n2c1cccc2)C
• InChI: InChI=1S/C21H25N3O2/c1-16-22-18(19-7-5-6-12-24(16)19)15-23-13-10-17(11-14-23)26-21-9-4-3-8-20(21)25-2/h3-9,12,17H,10-11,13-15H2,1-2H3
• InChIKey: FDMZRFXAMWCYMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenoxy)-1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidine
• IUPAC Traditional name: 4-(2-methoxyphenoxy)-1-({3-methylimidazo[1,5-a]pyridin-1-yl}methyl)piperidine
• Synonyms: 1-{[4-(2-methoxyphenoxy)-1-piperidinyl]methyl}-3-methylimidazo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.23743163
• LogD (pH = 7.4): 1.4714588
• Log P: 2.051879
• Molar Refractivity: 103.2453 cm^3
• Polarizability: 40.368073 Å^3
• Polar Surface Area: 39.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.9
• LOG S: -3.23
• Polar Surface Area: 39.0 Å^2
• Rotatable Bonds: 5