2,2,6,6-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine

• ChemBase ID: 733151
• Molecular Formular: C18H26N4O
• Molecular Mass: 314.42524
• Monoisotopic Mass: 314.21066147
• SMILES: n1c(oc(n1)CNC1CC(NC(C1)(C)C)(C)C)c1ccccc1
• Canonical SMILES: CC1(C)CC(NCc2nnc(o2)c2ccccc2)CC(N1)(C)C
• InChI: InChI=1S/C18H26N4O/c1-17(2)10-14(11-18(3,4)22-17)19-12-15-20-21-16(23-15)13-8-6-5-7-9-13/h5-9,14,19,22H,10-12H2,1-4H3
• InChIKey: SFCNXKOVWFYDLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
• Synonyms: 2,2,6,6-tetramethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.367458
• LogD (pH = 7.4): -1.2922192
• Log P: 1.6490326
• Molar Refractivity: 102.9306 cm^3
• Polarizability: 36.465595 Å^3
• Polar Surface Area: 62.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.33
• LOG S: -2.48
• Polar Surface Area: 62.98 Å^2
• Rotatable Bonds: 4