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

• ChemBase ID: 457909
• Molecular Formular: C18H27FN2O2
• Molecular Mass: 322.4175832
• Monoisotopic Mass: 322.20565633
• SMILES: C(=O)(NC(c1ccc(cc1)F)CO)CC1CCN(CC1)CCC
• Canonical SMILES: OCC(c1ccc(cc1)F)NC(=O)CC1CCN(CC1)CCC
• InChI: InChI=1S/C18H27FN2O2/c1-2-9-21-10-7-14(8-11-21)12-18(23)20-17(13-22)15-3-5-16(19)6-4-15/h3-6,14,17,22H,2,7-13H2,1H3,(H,20,23)
• InChIKey: XZXHPBYSNVPKJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.081448
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3557417
• LogD (pH = 7.4): 0.04235438
• Log P: 1.9847856
• Molar Refractivity: 89.7281 cm^3
• Polarizability: 34.707813 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.12
• LOG S: -3.36
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7