2-(1-ethylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]acetamide

• ChemBase ID: 648596
• Molecular Formular: C17H25FN2O2
• Molecular Mass: 308.3910032
• Monoisotopic Mass: 308.19000627
• SMILES: C(=O)(NC(c1ccc(cc1)F)CO)CC1CCN(CC1)CC
• Canonical SMILES: OCC(c1ccc(cc1)F)NC(=O)CC1CCN(CC1)CC
• InChI: InChI=1S/C17H25FN2O2/c1-2-20-9-7-13(8-10-20)11-17(22)19-16(12-21)14-3-5-15(18)6-4-14/h3-6,13,16,21H,2,7-12H2,1H3,(H,19,22)
• InChIKey: LZFFCKBLLKUPQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]acetamide
• Synonyms: 2-(1-ethyl-4-piperidinyl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.024257
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7621427
• LogD (pH = 7.4): -0.19188726
• Log P: 1.4622631
• Molar Refractivity: 85.2041 cm^3
• Polarizability: 32.870396 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.59
• LOG S: -2.81
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6