N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 663668
• Molecular Formular: C19H29FN2O2
• Molecular Mass: 336.4441632
• Monoisotopic Mass: 336.2213064
• SMILES: N1C(CC(CC(=O)NC(c2ccc(cc2)F)CO)CC1(C)C)(C)C
• Canonical SMILES: OCC(c1ccc(cc1)F)NC(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C19H29FN2O2/c1-18(2)10-13(11-19(3,4)22-18)9-17(24)21-16(12-23)14-5-7-15(20)8-6-14/h5-8,13,16,22-23H,9-12H2,1-4H3,(H,21,24)
• InChIKey: JLISXBBOUUKFFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.134974
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.116076
• LogD (pH = 7.4): -0.6930577
• Log P: 2.1167107
• Molar Refractivity: 93.2748 cm^3
• Polarizability: 36.546078 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.73
• LOG S: -3.98
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5