1,2,5-trimethylpiperazine

• ChemBase ID: 245837
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(NCC1C)C)C
• Canonical SMILES: CC1NCC(N(C1)C)C
• InChI: InChI=1S/C7H16N2/c1-6-5-9(3)7(2)4-8-6/h6-8H,4-5H2,1-3H3
• InChIKey: CDHYSFKPWCVXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,5-trimethylpiperazine
• IUPAC Traditional name: 1,2,5-trimethylpiperazine
• Synonyms: 1,2,5-trimethylpiperazine

Database IDs

• MDL Number: MFCD14584691
• PubChem SID: 164301747
• PubChem CID: 19610323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1387973
• LogD (pH = 7.4): -1.8842152
• Log P: 0.48739114
• Molar Refractivity: 39.5811 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.63

Product Information

• Purity: 95%