tert-butyl 2,3-dimethylpiperazine-1-carboxylate

• ChemBase ID: 247178
• Molecular Formular: C11H22N2O2
• Molecular Mass: 214.30458
• Monoisotopic Mass: 214.16812795
• SMILES: C(=O)(N1C(C(NCC1)C)C)OC(C)(C)C
• Canonical SMILES: CC1NCCN(C1C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O2/c1-8-9(2)13(7-6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
• InChIKey: RMTXPZPWCLGBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,3-dimethylpiperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,3-dimethylpiperazine-1-carboxylate
• Synonyms: tert-butyl 2,3-dimethylpiperazine-1-carboxylate; 2,3-DIMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Database IDs

• CAS Number: 886780-49-0
• MDL Number: MFCD08686656
• PubChem SID: 164303088
• PubChem CID: 16740581

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0667181
• LogD (pH = 7.4): 0.6671248
• Log P: 1.3875363
• Molar Refractivity: 59.2815 cm^3
• Polarizability: 23.692034 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%; 98%