4-{2-[1-(2,3-dichlorobenzoyl)piperidin-2-yl]ethyl}morpholine

• ChemBase ID: 777932
• Molecular Formular: C18H24Cl2N2O2
• Molecular Mass: 371.30136
• Monoisotopic Mass: 370.12148338
• SMILES: C(=O)(c1c(c(Cl)ccc1)Cl)N1C(CCN2CCOCC2)CCCC1
• Canonical SMILES: O=C(c1cccc(c1Cl)Cl)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C18H24Cl2N2O2/c19-16-6-3-5-15(17(16)20)18(23)22-8-2-1-4-14(22)7-9-21-10-12-24-13-11-21/h3,5-6,14H,1-2,4,7-13H2
• InChIKey: DKJHATTUYMGWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[1-(2,3-dichlorobenzoyl)piperidin-2-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{2-[1-(2,3-dichlorobenzoyl)piperidin-2-yl]ethyl}morpholine
• Synonyms: 4-{2-[1-(2,3-dichlorobenzoyl)-2-piperidinyl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6860427
• LogD (pH = 7.4): 3.087226
• Log P: 3.2495646
• Molar Refractivity: 98.3106 cm^3
• Polarizability: 37.99376 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0
• Log P: 2.92
• LOG S: -4.4