2-({1-[1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl}oxy)pyrimidine

• ChemBase ID: 792573
• Molecular Formular: C21H24FN3O2
• Molecular Mass: 369.4325632
• Monoisotopic Mass: 369.18525524
• SMILES: C1(C(C1)(C)C)(C(=O)N1CCC(Oc2ncccn2)CC1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1C1(CC1(C)C)C(=O)N1CCC(CC1)Oc1ncccn1
• InChI: InChI=1S/C21H24FN3O2/c1-20(2)14-21(20,16-6-3-4-7-17(16)22)18(26)25-12-8-15(9-13-25)27-19-23-10-5-11-24-19/h3-7,10-11,15H,8-9,12-14H2,1-2H3
• InChIKey: GXEXMQRIOPPTIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({1-[1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl}oxy)pyrimidine
• IUPAC Traditional name: 2-({1-[1-(2-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]piperidin-4-yl}oxy)pyrimidine
• Synonyms: 2-[(1-{[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]carbonyl}piperidin-4-yl)oxy]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.023923
• LogD (pH = 7.4): 3.0239332
• Log P: 3.0239334
• Molar Refractivity: 100.0891 cm^3
• Polarizability: 38.497196 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.29
• LOG S: -4.7
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 4