2-{[2-(benzyloxy)phenyl]methyl}-2,8-diazaspiro[4.5]decane

• ChemBase ID: 652195
• Molecular Formular: C22H28N2O
• Molecular Mass: 336.47052
• Monoisotopic Mass: 336.22016353
• SMILES: N1(Cc2c(OCc3ccccc3)cccc2)CC2(CC1)CCNCC2
• Canonical SMILES: N1CCC2(CC1)CCN(C2)Cc1ccccc1OCc1ccccc1
• InChI: InChI=1S/C22H28N2O/c1-2-6-19(7-3-1)17-25-21-9-5-4-8-20(21)16-24-15-12-22(18-24)10-13-23-14-11-22/h1-9,23H,10-18H2
• InChIKey: GMNPJGGZFHYEAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(benzyloxy)phenyl]methyl}-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-{[2-(benzyloxy)phenyl]methyl}-2,8-diazaspiro[4.5]decane
• Synonyms: 2-[2-(benzyloxy)benzyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.011294
• LogD (pH = 7.4): -1.0206666
• Log P: 3.4902713
• Molar Refractivity: 103.3174 cm^3
• Polarizability: 40.660233 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.72
• LOG S: -3.82
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5