3-(2-fluorophenyl)-1-[4-(morpholin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one

• ChemBase ID: 825227
• Molecular Formular: C24H29FN2O2
• Molecular Mass: 396.4976632
• Monoisotopic Mass: 396.2213064
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)CC(c1c(F)cccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCC(CC1)N1CCOCC1)CC(c1ccccc1F)c1ccccc1
• InChI: InChI=1S/C24H29FN2O2/c25-23-9-5-4-8-21(23)22(19-6-2-1-3-7-19)18-24(28)27-12-10-20(11-13-27)26-14-16-29-17-15-26/h1-9,20,22H,10-18H2
• InChIKey: KDCFITUAINRSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-1-[4-(morpholin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
• IUPAC Traditional name: 3-(2-fluorophenyl)-1-[4-(morpholin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
• Synonyms: 4-{1-[3-(2-fluorophenyl)-3-phenylpropanoyl]-4-piperidinyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1528454
• LogD (pH = 7.4): 2.756266
• Log P: 3.067803
• Molar Refractivity: 112.9678 cm^3
• Polarizability: 43.63624 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.41
• LOG S: -3.54
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5