N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 781570
• Molecular Formular: C13H24N4O
• Molecular Mass: 252.35586
• Monoisotopic Mass: 252.19501141
• SMILES: c1(oc(nn1)CC)NC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CCc1nnc(o1)NC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C13H24N4O/c1-6-10-15-16-11(18-10)14-9-7-12(2,3)17-13(4,5)8-9/h9,17H,6-8H2,1-5H3,(H,14,16)
• InChIKey: GMKQRWVFQJUUDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: N-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,6,6-tetramethylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.484624
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.257656
• LogD (pH = 7.4): -1.7868131
• Log P: 0.69847417
• Molar Refractivity: 73.9887 cm^3
• Polarizability: 27.55654 Å^3
• Polar Surface Area: 62.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.39
• LOG S: -1.56
• Polar Surface Area: 62.98 Å^2
• Rotatable Bonds: 3