tert-butyl 2,2-diethylpiperazine-1-carboxylate

• ChemBase ID: 805375
• Molecular Formular: C13H26N2O2
• Molecular Mass: 242.35774
• Monoisotopic Mass: 242.19942808
• SMILES: C1(CNCCN1C(=O)OC(C)(C)C)(CC)CC
• Canonical SMILES: CCC1(CC)CNCCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C13H26N2O2/c1-6-13(7-2)10-14-8-9-15(13)11(16)17-12(3,4)5/h14H,6-10H2,1-5H3
• InChIKey: WMOTWNLFWJSBHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,2-diethylpiperazine-1-carboxylate
• IUPAC Traditional name: tert-butyl 2,2-diethylpiperazine-1-carboxylate
• Synonyms: 2,2-DIETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22061506
• LogD (pH = 7.4): 1.5133646
• Log P: 2.2965827
• Molar Refractivity: 68.5489 cm^3
• Polarizability: 27.371313 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%