4-{1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 750795
• Molecular Formular: C16H28N4O2
• Molecular Mass: 308.41912
• Monoisotopic Mass: 308.22122616
• SMILES: c1(oc(nn1)CCC)N1CCC(C(N2CCOCC2)C)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C16H28N4O2/c1-3-4-15-17-18-16(22-15)20-7-5-14(6-8-20)13(2)19-9-11-21-12-10-19/h13-14H,3-12H2,1-2H3
• InChIKey: HCEDSCBQDZBYAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-{1-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]ethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.94668496
• LogD (pH = 7.4): 0.82741743
• Log P: 1.7006301
• Molar Refractivity: 88.3165 cm^3
• Polarizability: 33.05713 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.95
• LOG S: -1.25
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 5