8-[(2-methoxypyridin-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 582425
• Molecular Formular: C16H25N3O
• Molecular Mass: 275.3892
• Monoisotopic Mass: 275.19976244
• SMILES: c1(c(nccc1)OC)CN1CCC2(CN(CC2)C)CC1
• Canonical SMILES: COc1ncccc1CN1CCC2(CC1)CCN(C2)C
• InChI: InChI=1S/C16H25N3O/c1-18-9-5-16(13-18)6-10-19(11-7-16)12-14-4-3-8-17-15(14)20-2/h3-4,8H,5-7,9-13H2,1-2H3
• InChIKey: YQFSTKXQZJQVKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-methoxypyridin-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-[(2-methoxypyridin-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 8-[(2-methoxypyridin-3-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.2861342
• LogD (pH = 7.4): -1.4214728
• Log P: 1.5256313
• Molar Refractivity: 82.1561 cm^3
• Polarizability: 31.96496 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.78
• LOG S: -1.72
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3