1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate

• ChemBase ID: 269551
• Molecular Formular: C15H28N2O4
• Molecular Mass: 300.39382
• Monoisotopic Mass: 300.20490739
• SMILES: C(=O)(N1C(CN(C(=O)OC(C)(C)C)CC1)C)OC(C)(C)C
• Canonical SMILES: O=C(N1CCN(C(C1)C)C(=O)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3
• InChIKey: IMKNVNIIMKCRIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate
• IUPAC Traditional name: 1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate
• Synonyms: 1,4-di-tert-butyl 2-methylpiperazine-1,4-dicarboxylate

Database IDs

• MDL Number: MFCD16990659
• PubChem SID: 164325461
• PubChem CID: 23078619

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2541542
• LogD (pH = 7.4): 2.2541542
• Log P: 2.2541542
• Molar Refractivity: 79.8578 cm^3
• Polarizability: 31.472929 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.071

Product Information

• Purity: 95%