7-[(2-fluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 698222
• Molecular Formular: C20H29FN2O
• Molecular Mass: 332.4554632
• Monoisotopic Mass: 332.22639178
• SMILES: N1(CC2(CN(Cc3c(F)cccc3)CCC2)CC1)C1CCOCC1
• Canonical SMILES: Fc1ccccc1CN1CCCC2(C1)CCN(C2)C1CCOCC1
• InChI: InChI=1S/C20H29FN2O/c21-19-5-2-1-4-17(19)14-22-10-3-8-20(15-22)9-11-23(16-20)18-6-12-24-13-7-18/h1-2,4-5,18H,3,6-16H2
• InChIKey: FBYYIPHYZAFTGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2-fluorophenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-fluorobenzyl)-2-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2698348
• LogD (pH = 7.4): -0.4384883
• Log P: 2.566313
• Molar Refractivity: 96.0742 cm^3
• Polarizability: 37.31437 Å^3
• Polar Surface Area: 15.71 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: 2.58
• LOG S: -1.41
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3