2-(2-methylpropyl)piperazine

• ChemBase ID: 116965
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1C(CC(C)C)CNCC1
• Canonical SMILES: CC(CC1NCCNC1)C
• InChI: InChI=1S/C8H18N2/c1-7(2)5-8-6-9-3-4-10-8/h7-10H,3-6H2,1-2H3
• InChIKey: BYYCSTYYULCJLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)piperazine
• IUPAC Traditional name: 2-(2-methylpropyl)piperazine
• Synonyms: 2-isobutylpiperazine; 2-ISOBUTYL-PIPERAZINE

Database IDs

• CAS Number: 84477-68-9
• MDL Number: MFCD07373045
• PubChem SID: 162102366
• PubChem CID: 13553921

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5080314
• LogD (pH = 7.4): -1.3178856
• Log P: 0.9418784
• Molar Refractivity: 43.5412 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.032

Product Information

• Purity: 95+%; 98%