4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine

• ChemBase ID: 788333
• Molecular Formular: C23H30N2O
• Molecular Mass: 350.4971
• Monoisotopic Mass: 350.23581359
• SMILES: C1(CN(CCN2CCOCC2)CCC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O1CCN(CC1)CCN1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H30N2O/c1-3-8-21(9-4-1)23(22-10-5-2-6-11-22)12-7-13-25(20-23)15-14-24-16-18-26-19-17-24/h1-6,8-11H,7,12-20H2
• InChIKey: IXUXWTYZPDSEMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine
• Synonyms: 4-[2-(3,3-diphenylpiperidin-1-yl)ethyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4451509
• LogD (pH = 7.4): 1.7074597
• Log P: 3.8512614
• Molar Refractivity: 118.7778 cm^3
• Polarizability: 42.446407 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.96
• LOG S: -3.74
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5