1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione

• ChemBase ID: 74022
• Molecular Formular: C8H14N2O4
• Molecular Mass: 202.20776
• Monoisotopic Mass: 202.09535694
• SMILES: N1(O)C(=O)C(N(C(=O)C1(C)C)O)(C)C
• Canonical SMILES: ON1C(=O)C(C)(C)N(C(=O)C1(C)C)O
• InChI: InChI=1S/C8H14N2O4/c1-7(2)5(11)10(14)8(3,4)6(12)9(7)13/h13-14H,1-4H3
• InChIKey: CKULDOGZGMGAMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione
• IUPAC Traditional name: 1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione
• Synonyms: 1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione; 1,4-Dihydroxy-3,3,6,6-tetramethylpiperazine-2 5-dione

Database IDs

• CAS Number: 88571-75-9
• MDL Number: MFCD00829410
• PubChem SID: 162038941
• PubChem CID: 727025

CALCULATED PROPERTIES

• Acid pKa: 7.3022203
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.22065414
• LogD (pH = 7.4): -0.614385
• Log P: -0.21386968
• Molar Refractivity: 47.5506 cm^3
• Polarizability: 18.563797 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%