4-(1-{[5-(3-chlorophenyl)furan-2-yl]methyl}piperidin-3-yl)morpholine

• ChemBase ID: 342796
• Molecular Formular: C20H25ClN2O2
• Molecular Mass: 360.8777
• Monoisotopic Mass: 360.16045573
• SMILES: c1(oc(cc1)CN1CC(N2CCOCC2)CCC1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1ccc(o1)CN1CCCC(C1)N1CCOCC1
• InChI: InChI=1S/C20H25ClN2O2/c21-17-4-1-3-16(13-17)20-7-6-19(25-20)15-22-8-2-5-18(14-22)23-9-11-24-12-10-23/h1,3-4,6-7,13,18H,2,5,8-12,14-15H2
• InChIKey: NUMGVQONJSHELV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[5-(3-chlorophenyl)furan-2-yl]methyl}piperidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[5-(3-chlorophenyl)furan-2-yl]methyl}piperidin-3-yl)morpholine
• Synonyms: 4-(1-{[5-(3-chlorophenyl)-2-furyl]methyl}-3-piperidinyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2696068
• LogD (pH = 7.4): 1.936062
• Log P: 3.411869
• Molar Refractivity: 101.1149 cm^3
• Polarizability: 40.71242 Å^3
• Polar Surface Area: 28.85 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: 4.54
• LOG S: -2.61
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 4