4-[1-(1-{[4-(difluoromethoxy)phenyl]methyl}piperidin-4-yl)ethyl]morpholine

• ChemBase ID: 731928
• Molecular Formular: C19H28F2N2O2
• Molecular Mass: 354.4346264
• Monoisotopic Mass: 354.21188459
• SMILES: N1(C(C2CCN(Cc3ccc(OC(F)F)cc3)CC2)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)Cc1ccc(cc1)OC(F)F
• InChI: InChI=1S/C19H28F2N2O2/c1-15(23-10-12-24-13-11-23)17-6-8-22(9-7-17)14-16-2-4-18(5-3-16)25-19(20)21/h2-5,15,17,19H,6-14H2,1H3
• InChIKey: KEGVRFIVEWVZAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(1-{[4-(difluoromethoxy)phenyl]methyl}piperidin-4-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[1-(1-{[4-(difluoromethoxy)phenyl]methyl}piperidin-4-yl)ethyl]morpholine
• Synonyms: 4-(1-{1-[4-(difluoromethoxy)benzyl]-4-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 94.8352 cm^3
• Polarizability: 36.639786 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1951196
• LogD (pH = 7.4): 1.1941003
• Log P: 3.369211

供应商提供(Chembridge)

• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.41
• LOG S: -2.83