4-[3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}oxy)benzoyl]morpholine

• ChemBase ID: 327138
• Molecular Formular: C23H27FN2O3
• Molecular Mass: 398.4704832
• Monoisotopic Mass: 398.20057095
• SMILES: C(=O)(N1CCOCC1)c1cc(OC2CCN(Cc3c(F)cccc3)CC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)Cc1ccccc1F)N1CCOCC1
• InChI: InChI=1S/C23H27FN2O3/c24-22-7-2-1-4-19(22)17-25-10-8-20(9-11-25)29-21-6-3-5-18(16-21)23(27)26-12-14-28-15-13-26/h1-7,16,20H,8-15,17H2
• InChIKey: VRZFBRZENFKCID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}oxy)benzoyl]morpholine
• IUPAC Traditional name: 4-[3-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}oxy)benzoyl]morpholine
• Synonyms: 4-(3-{[1-(2-fluorobenzyl)-4-piperidinyl]oxy}benzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6707817
• LogD (pH = 7.4): 2.3561192
• Log P: 2.7890477
• Molar Refractivity: 110.7476 cm^3
• Polarizability: 42.265987 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -2.91
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5