7-[(3,4-dimethoxypyridin-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 572803
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: c1(c(c(ccn1)OC)OC)CN1CC2(COCC2)CCC1
• Canonical SMILES: COc1c(nccc1OC)CN1CCCC2(C1)COCC2
• InChI: InChI=1S/C16H24N2O3/c1-19-14-4-7-17-13(15(14)20-2)10-18-8-3-5-16(11-18)6-9-21-12-16/h4,7H,3,5-6,8-12H2,1-2H3
• InChIKey: CAXBTJXHOWZTKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,4-dimethoxypyridin-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-[(3,4-dimethoxypyridin-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-[(3,4-dimethoxypyridin-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.63241917
• LogD (pH = 7.4): 0.7755416
• Log P: 0.9452618
• Molar Refractivity: 80.654 cm^3
• Polarizability: 31.802425 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.12
• LOG S: -1.35
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 4