1-ethyl-3-methylpiperazin-2-one hydrobromide

• ChemBase ID: 144175
• Molecular Formular: C7H15BrN2O
• Molecular Mass: 223.1108
• Monoisotopic Mass: 222.03677511
• SMILES: CCN1CCNC(C1=O)C.Br
• Canonical SMILES: CCN1CCNC(C1=O)C.Br
• InChI: InChI=1S/C7H14N2O.BrH/c1-3-9-5-4-8-6(2)7(9)10;/h6,8H,3-5H2,1-2H3;1H
• InChIKey: VZHRVHYNMLGLPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methylpiperazin-2-one hydrobromide
• IUPAC Traditional name: 1-ethyl-3-methylpiperazin-2-one hydrobromide
• Synonyms: 1-Ethyl-3-methylpiperazin-2-one hydrobromide

Database IDs

• MDL Number: MFCD13186099
• PubChem SID: 162238392
• PubChem CID: 53398829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9711825
• LogD (pH = 7.4): -0.5148681
• Log P: -0.32043839
• Molar Refractivity: 39.6671 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H15BrN2O

DETAILS

Sigma Aldrich - CBR00710

Other Notes
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Legal Information
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