tert-butyl (2R)-2,4-dimethylpiperazine-1-carboxylate

• ChemBase ID: 812272
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: [C@H]1(CN(CCN1C(=O)OC(C)(C)C)C)C
• Canonical SMILES: CN1CCN([C@@H](C1)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-9-8-12(5)6-7-13(9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3/t9-/m1/s1
• InChIKey: JHTVXFPQRSFQHL-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2R)-2,4-dimethylpiperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl (2R)-2,4-dimethylpiperazine-1-carboxylate
• Synonyms: (R)-2,4-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Database IDs

• CAS Number: 1033717-19-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.33683205
• LogD (pH = 7.4): 1.1459988
• Log P: 1.3540092
• Molar Refractivity: 60.1574 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%