tert-butyl 2,5-bis(propan-2-yl)piperazine-1-carboxylate

• ChemBase ID: 278785
• Molecular Formular: C15H30N2O2
• Molecular Mass: 270.4109
• Monoisotopic Mass: 270.23072821
• SMILES: N1(C(=O)OC(C)(C)C)C(CNC(C1)C(C)C)C(C)C
• Canonical SMILES: CC(C1CNC(CN1C(=O)OC(C)(C)C)C(C)C)C
• InChI: InChI=1S/C15H30N2O2/c1-10(2)12-9-17(13(8-16-12)11(3)4)14(18)19-15(5,6)7/h10-13,16H,8-9H2,1-7H3
• InChIKey: AHJQMGVFZLEAIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,5-bis(propan-2-yl)piperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,5-diisopropylpiperazine-1-carboxylate
• Synonyms: tert-butyl 2,5-bis(propan-2-yl)piperazine-1-carboxylate

Database IDs

• MDL Number: MFCD20233511
• PubChem SID: 164334695
• PubChem CID: 54594988

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.45662487
• LogD (pH = 7.4): 2.1646235
• Log P: 3.1625266
• Molar Refractivity: 77.2727 cm^3
• Polarizability: 31.05375 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.459

Product Information

• Purity: 95%