tert-butyl 3-cyclobutylpiperazine-1-carboxylate

• ChemBase ID: 806049
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C1C(NCCN1C(=O)OC(C)(C)C)C1CCC1
• Canonical SMILES: O=C(N1CCNC(C1)C1CCC1)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-7-14-11(9-15)10-5-4-6-10/h10-11,14H,4-9H2,1-3H3
• InChIKey: PFXVSTDZWCSQSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-cyclobutylpiperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-cyclobutylpiperazine-1-carboxylate
• Synonyms: 3-CYCLOBUTYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6922613
• LogD (pH = 7.4): 1.0411998
• Log P: 1.8392992
• Molar Refractivity: 66.6571 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%