2-(diethylamino)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylacetamide

• ChemBase ID: 543197
• Molecular Formular: C19H30FN3O
• Molecular Mass: 335.4594032
• Monoisotopic Mass: 335.23729082
• SMILES: C(=O)(N(C1CN(Cc2c(F)cccc2)CCC1)C)CN(CC)CC
• Canonical SMILES: CCN(CC(=O)N(C1CCCN(C1)Cc1ccccc1F)C)CC
• InChI: InChI=1S/C19H30FN3O/c1-4-22(5-2)15-19(24)21(3)17-10-8-12-23(14-17)13-16-9-6-7-11-18(16)20/h6-7,9,11,17H,4-5,8,10,12-15H2,1-3H3
• InChIKey: NMGVKGIASCLFHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylacetamide
• IUPAC Traditional name: 2-(diethylamino)-N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N-methylacetamide
• Synonyms: N~2~,N~2~-diethyl-N~1~-[1-(2-fluorobenzyl)-3-piperidinyl]-N~1~-methylglycinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8243718
• LogD (pH = 7.4): 1.3986882
• Log P: 2.3735623
• Molar Refractivity: 97.2448 cm^3
• Polarizability: 37.44666 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.01
• LOG S: -0.72
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4