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

• ChemBase ID: 534623
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: C(=O)(N1CCOCC1)c1cc(OC2CCN(CC2)CCc2ccccc2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)CCc1ccccc1)N1CCOCC1
• InChI: InChI=1S/C24H30N2O3/c27-24(26-15-17-28-18-16-26)21-7-4-8-23(19-21)29-22-10-13-25(14-11-22)12-9-20-5-2-1-3-6-20/h1-8,19,22H,9-18H2
• InChIKey: RLLDXUWTAAARGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.16341479
• LogD (pH = 7.4): 1.5056331
• Log P: 2.9350069
• Molar Refractivity: 115.2862 cm^3
• Polarizability: 44.372326 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.79
• LOG S: -4.46
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6