1-methyl-4-(prop-2-yn-1-yl)piperazine

• ChemBase ID: 272102
• Molecular Formular: C8H14N2
• Molecular Mass: 138.21016
• Monoisotopic Mass: 138.11569846
• SMILES: C(#C)CN1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CC#C
• InChI: InChI=1S/C8H14N2/c1-3-4-10-7-5-9(2)6-8-10/h1H,4-8H2,2H3
• InChIKey: NOXAORINZJERRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(prop-2-yn-1-yl)piperazine
• IUPAC Traditional name: 1-methyl-4-(prop-2-yn-1-yl)piperazine
• Synonyms: 1-methyl-4-(prop-2-yn-1-yl)piperazine

Database IDs

• MDL Number: MFCD09910338
• PubChem SID: 164328012
• PubChem CID: 13514091

CALCULATED PROPERTIES

• Molar Refractivity: 43.6184 cm^3
• Polarizability: 16.705782 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.4977133
• LogD (pH = 7.4): -0.729106
• Log P: 0.2653721

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.162

Product Information

• Purity: 95%