2-(4-fluorophenyl)-1-{2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 767703
• Molecular Formular: C19H24FN3O
• Molecular Mass: 329.4117632
• Monoisotopic Mass: 329.19034062
• SMILES: C(=O)(N1C(CCn2c(ncc2)C)CCCC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC(=O)N1CCCCC1CCn1ccnc1C
• InChI: InChI=1S/C19H24FN3O/c1-15-21-10-13-22(15)12-9-18-4-2-3-11-23(18)19(24)14-16-5-7-17(20)8-6-16/h5-8,10,13,18H,2-4,9,11-12,14H2,1H3
• InChIKey: QBHIABMVNKKOEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-{2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-{2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl}ethanone
• Synonyms: 1-[(4-fluorophenyl)acetyl]-2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3813201
• LogD (pH = 7.4): 2.149246
• Log P: 2.39419
• Molar Refractivity: 92.2564 cm^3
• Polarizability: 35.209354 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.4
• LOG S: -3.65
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5