1,4-di-tert-butyl (2H8)piperazine-1,4-dicarboxylate

• ChemBase ID: 162196
• Molecular Formular: C14H26N2O4
• Molecular Mass: 286.36724
• Monoisotopic Mass: 286.18925732
• SMILES: C1N(CCN(C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
• InChIKey: YROXEBCFDJQGOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-di-tert-butyl (^2H₈)piperazine-1,4-dicarboxylate
• IUPAC Traditional name: 1,4-di-tert-butyl (^2H₈)piperazine-1,4-dicarboxylate
• Synonyms: 1,4-Bis(tert-butoxycarbonyl)piperazine-d8; 1,4-(Piperazine-d8)dicarboxylic Acid 1,4-Bis(1,1-dimethylethyl)ester; 1,4-Bis(tert-boc)piperazine-d8

Database IDs

• PubChem SID: 162256331
• PubChem CID: 71314041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8375793
• LogD (pH = 7.4): 1.8375793
• Log P: 1.8375793
• Molar Refractivity: 75.439 cm^3
• Polarizability: 29.641026 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 1578-158°C

Safety Information

• Storage Condition: -20°C Freezer