7-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 519158
• Molecular Formular: C24H36FN3
• Molecular Mass: 385.5611432
• Monoisotopic Mass: 385.28932639
• SMILES: N1(CC2(CN(CC3CCC3)CCC2)CC1)C1CCN(c2c(F)cccc2)CC1
• Canonical SMILES: Fc1ccccc1N1CCC(CC1)N1CCC2(C1)CCCN(C2)CC1CCC1
• InChI: InChI=1S/C24H36FN3/c25-22-7-1-2-8-23(22)27-14-9-21(10-15-27)28-16-12-24(19-28)11-4-13-26(18-24)17-20-5-3-6-20/h1-2,7-8,20-21H,3-6,9-19H2
• InChIKey: BMBGMGWHGDHZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)-4-piperidinyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1277618
• LogD (pH = 7.4): 0.1415119
• Log P: 4.023726
• Molar Refractivity: 115.4787 cm^3
• Polarizability: 44.411003 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.6
• LOG S: -4.55
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 4