2-methyl-1-(propan-2-yl)piperazine

• ChemBase ID: 144344
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: CC1CNCCN1C(C)C
• Canonical SMILES: CC(N1CCNCC1C)C
• InChI: InChI=1S/C8H18N2/c1-7(2)10-5-4-9-6-8(10)3/h7-9H,4-6H2,1-3H3
• InChIKey: GGROKFCODOVWLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(propan-2-yl)piperazine
• IUPAC Traditional name: 1-isopropyl-2-methylpiperazine
• Synonyms: 1-Isopropyl-2-methylpiperazine; 1-isopropyl-2-methylpiperazine

Database IDs

• CAS Number: 26864-96-0
• MDL Number: MFCD08060026
• PubChem SID: 162238559
• PubChem CID: 17750370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.567334
• LogD (pH = 7.4): -1.7075592
• Log P: 0.8441991
• Molar Refractivity: 44.3297 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H18N2

DETAILS

Sigma Aldrich - CBR01099

Analysis Note
may contain up to 0.5 eq carbonate
Other Notes
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Legal Information
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