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

• ChemBase ID: 862627
• Molecular Formular: C18H27FN2O2
• Molecular Mass: 322.4175832
• Monoisotopic Mass: 322.20565633
• SMILES: C(=O)(N(Cc1ccc(F)cc1)CCO)CC1CCN(CC1)CC
• Canonical SMILES: OCCN(C(=O)CC1CCN(CC1)CC)Cc1ccc(cc1)F
• InChI: InChI=1S/C18H27FN2O2/c1-2-20-9-7-15(8-10-20)13-18(23)21(11-12-22)14-16-3-5-17(19)6-4-16/h3-6,15,22H,2,7-14H2,1H3
• InChIKey: DZUCJZZLFXWLAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573572
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5982356
• LogD (pH = 7.4): -0.027980141
• Log P: 1.6261721
• Molar Refractivity: 90.4306 cm^3
• Polarizability: 34.708565 Å^3
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.3
• LOG S: -3.52
• Polar Surface Area: 43.78 Å^2
• Rotatable Bonds: 7