tert-butyl 4-[(hydrazinecarbonyl)amino]piperidine-1-carboxylate

• ChemBase ID: 274448
• Molecular Formular: C11H22N4O3
• Molecular Mass: 258.31738
• Monoisotopic Mass: 258.16919058
• SMILES: C(=O)(N1CCC(NC(=O)NN)CC1)OC(C)(C)C
• Canonical SMILES: NNC(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N4O3/c1-11(2,3)18-10(17)15-6-4-8(5-7-15)13-9(16)14-12/h8H,4-7,12H2,1-3H3,(H2,13,14,16)
• InChIKey: MMIVXIUUDRGKAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(hydrazinecarbonyl)amino]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(hydrazinecarbonyl)amino]piperidine-1-carboxylate
• Synonyms: tert-butyl 4-[(hydrazinecarbonyl)amino]piperidine-1-carboxylate

Database IDs

• MDL Number: MFCD18917260
• PubChem SID: 164330358
• PubChem CID: 54593171

CALCULATED PROPERTIES

• Acid pKa: 12.238329
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.51132596
• LogD (pH = 7.4): -0.50970894
• Log P: -0.50968224
• Molar Refractivity: 67.6749 cm^3
• Polarizability: 26.009989 Å^3
• Polar Surface Area: 96.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.579

Product Information

• Purity: 95%