ethyl piperazine-2-carboxylate

• ChemBase ID: 283120
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C1(C(=O)OCC)NCCNC1
• Canonical SMILES: CCOC(=O)C1CNCCN1
• InChI: InChI=1S/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3
• InChIKey: XWZHSYWFWDKJHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl piperazine-2-carboxylate
• IUPAC Traditional name: ethyl piperazine-2-carboxylate
• Synonyms: ethyl piperazine-2-carboxylate

Database IDs

• MDL Number: MFCD03265251
• PubChem SID: 180668651
• PubChem CID: 10633257

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0512261
• LogD (pH = 7.4): -1.3171161
• Log P: -0.53616524
• Molar Refractivity: 40.7964 cm^3
• Polarizability: 16.72713 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.325

Product Information

• Purity: 95%