ethyl 2-(piperazin-1-yl)propanoate

• ChemBase ID: 88707
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: N1(C(C(=O)OCC)C)CCNCC1
• Canonical SMILES: CCOC(=O)C(N1CCNCC1)C
• InChI: InChI=1S/C9H18N2O2/c1-3-13-9(12)8(2)11-6-4-10-5-7-11/h8,10H,3-7H2,1-2H3
• InChIKey: LWPINFVZIFEBEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(piperazin-1-yl)propanoate
• IUPAC Traditional name: ethyl 2-(piperazin-1-yl)propanoate
• Synonyms: Ethyl 2-(piperazin-1-yl)propanoate

Database IDs

• MDL Number: MFCD03410259
• PubChem SID: 162075628
• PubChem CID: 2736463

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.5998844
• Log P: 0.20369066
• Molar Refractivity: 50.8397 cm^3
• Polarizability: 20.40019 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9135468

PROPERTIES

Safety Information

• Storage Warning: Irritant