4-{1-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 404625
• Molecular Formular: C19H27ClN2O3
• Molecular Mass: 366.88228
• Monoisotopic Mass: 366.17102041
• SMILES: C(=O)(c1cc(cc(c1)OC)Cl)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: COc1cc(Cl)cc(c1)C(=O)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C19H27ClN2O3/c1-14(21-7-9-25-10-8-21)15-3-5-22(6-4-15)19(23)16-11-17(20)13-18(12-16)24-2/h11-15H,3-10H2,1-2H3
• InChIKey: ZLNKUDMKJFITRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(3-chloro-5-methoxybenzoyl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-{1-[1-(3-chloro-5-methoxybenzoyl)-4-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.1894344
• LogD (pH = 7.4): 1.5839754
• Log P: 2.403093
• Molar Refractivity: 99.9602 cm^3
• Polarizability: 38.585716 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: 2.59
• LOG S: -4.09
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4