1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 103729
• Molecular Formular: C13H20N2O3
• Molecular Mass: 252.3095
• Monoisotopic Mass: 252.14739251
• SMILES: CC1(C)CC(CC(C)(C)N1O)N1C(=O)C=CC1=O
• Canonical SMILES: ON1C(C)(C)CC(CC1(C)C)N1C(=O)C=CC1=O
• InChI: InChI=1S/C13H20N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h5-6,9,18H,7-8H2,1-4H3
• InChIKey: ATLHCOBCOLZMIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione
• Synonyms: 4-Maleimido-2,2,6,6-tetramethyl-1-piperidinyloxy; 4-MALEIMIDO-TEMPO

Database IDs

• CAS Number: 15178-63-9
• PubChem SID: 162103274
• PubChem CID: 123849

CALCULATED PROPERTIES

• Acid pKa: 14.741969
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24359426
• LogD (pH = 7.4): 0.24398199
• Log P: 0.24398696
• Molar Refractivity: 68.2831 cm^3
• Polarizability: 26.426489 Å^3
• Polar Surface Area: 60.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true