N,N-diethyl-2-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}acetamide

• ChemBase ID: 402679
• Molecular Formular: C19H29FN2O
• Molecular Mass: 320.4447632
• Monoisotopic Mass: 320.22639178
• SMILES: C(=O)(CN1CC(CCc2ccc(F)cc2)CCC1)N(CC)CC
• Canonical SMILES: CCN(C(=O)CN1CCCC(C1)CCc1ccc(cc1)F)CC
• InChI: InChI=1S/C19H29FN2O/c1-3-22(4-2)19(23)15-21-13-5-6-17(14-21)8-7-16-9-11-18(20)12-10-16/h9-12,17H,3-8,13-15H2,1-2H3
• InChIKey: ZLLJOAOINZFONG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}acetamide
• IUPAC Traditional name: N,N-diethyl-2-{3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl}acetamide
• Synonyms: N,N-diethyl-2-{3-[2-(4-fluorophenyl)ethyl]-1-piperidinyl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.571215
• LogD (pH = 7.4): 2.330477
• Log P: 3.4031603
• Molar Refractivity: 93.3125 cm^3
• Polarizability: 35.846024 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.08
• LOG S: -5.02
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7