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

• ChemBase ID: 347952
• Molecular Formular: C19H27FN2
• Molecular Mass: 302.4294832
• Monoisotopic Mass: 302.21582709
• SMILES: N1(CC2(CN(Cc3ccc(F)cc3)CCC2)CC1)CC1CC1
• Canonical SMILES: Fc1ccc(cc1)CN1CCCC2(C1)CCN(C2)CC1CC1
• InChI: InChI=1S/C19H27FN2/c20-18-6-4-17(5-7-18)12-21-10-1-8-19(14-21)9-11-22(15-19)13-16-2-3-16/h4-7,16H,1-3,8-15H2
• InChIKey: FCKCPHHPRLPCJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(cyclopropylmethyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(cyclopropylmethyl)-7-(4-fluorobenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6691703
• LogD (pH = 7.4): 0.34357545
• Log P: 3.385704
• Molar Refractivity: 89.5407 cm^3
• Polarizability: 34.78612 Å^3
• Polar Surface Area: 6.48 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0
• Log P: 4.01
• LOG S: -2.3
• Polar Surface Area: 6.48 Å^2