tert-butyl 4-(N-methylhydrazinecarbonyl)piperazine-1-carboxylate

• ChemBase ID: 246345
• Molecular Formular: C11H22N4O3
• Molecular Mass: 258.31738
• Monoisotopic Mass: 258.16919058
• SMILES: C(=O)(N1CCN(C(=O)OC(C)(C)C)CC1)N(N)C
• Canonical SMILES: O=C(N1CCN(CC1)C(=O)N(N)C)OC(C)(C)C
• InChI: InChI=1S/C11H22N4O3/c1-11(2,3)18-10(17)15-7-5-14(6-8-15)9(16)13(4)12/h5-8,12H2,1-4H3
• InChIKey: IYHBQAMSVJKOHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(N-methylhydrazinecarbonyl)piperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(N-methylhydrazinecarbonyl)piperazine-1-carboxylate
• Synonyms: tert-butyl 4-(N-methylhydrazinecarbonyl)piperazine-1-carboxylate

Database IDs

• PubChem SID: 164302255
• PubChem CID: 71757964

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.24636838
• LogD (pH = 7.4): -0.24207172
• Log P: -0.24201666
• Molar Refractivity: 68.0673 cm^3
• Polarizability: 26.009989 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.618

Product Information

• Purity: 95%