1-(2-methylprop-2-en-1-yl)piperazine

• ChemBase ID: 122319
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(CC(=C)C)CCNCC1
• Canonical SMILES: CC(=C)CN1CCNCC1
• InChI: InChI=1S/C8H16N2/c1-8(2)7-10-5-3-9-4-6-10/h9H,1,3-7H2,2H3
• InChIKey: KFKOZGPFYSPNQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methylprop-2-en-1-yl)piperazine
• IUPAC Traditional name: 1-(2-methylprop-2-en-1-yl)piperazine
• Synonyms: 1-(2-methylallyl)piperazine; 1-(2-methyl-2-propen-1-yl)piperazine

Database IDs

• MDL Number: MFCD03030344
• PubChem SID: 162216672
• PubChem CID: 1073878

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7078333
• LogD (pH = 7.4): -1.3505052
• Log P: 0.6288522
• Molar Refractivity: 44.1882 cm^3
• Polarizability: 17.577856 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true