4-{1-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 563526
• Molecular Formular: C19H26F2N2O3
• Molecular Mass: 368.4181464
• Monoisotopic Mass: 368.19114914
• SMILES: c1(C(=O)N2CCC(C(N3CCOCC3)C)CC2)c(cc(cc1F)OC)F
• Canonical SMILES: COc1cc(F)c(c(c1)F)C(=O)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C19H26F2N2O3/c1-13(22-7-9-26-10-8-22)14-3-5-23(6-4-14)19(24)18-16(20)11-15(25-2)12-17(18)21/h11-14H,3-10H2,1-2H3
• InChIKey: QZIVYVRYYFHAOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-{1-[1-(2,6-difluoro-4-methoxybenzoyl)-4-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5080751
• LogD (pH = 7.4): 1.2653346
• Log P: 2.0844524
• Molar Refractivity: 95.5882 cm^3
• Polarizability: 36.12103 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.92
• LOG S: -2.67
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4