1,3,3-trimethylpiperazine

• ChemBase ID: 245442
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(NCC1)(C)C)C
• Canonical SMILES: CN1CCNC(C1)(C)C
• InChI: InChI=1S/C7H16N2/c1-7(2)6-9(3)5-4-8-7/h8H,4-6H2,1-3H3
• InChIKey: KVWMFPQRDKFZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,3-trimethylpiperazine
• IUPAC Traditional name: 1,3,3-trimethylpiperazine
• Synonyms: 1,3,3-trimethylpiperazine

Database IDs

• CAS Number: 741288-57-3
• MDL Number: MFCD09971198
• PubChem SID: 164301352
• PubChem CID: 22367738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2405155
• LogD (pH = 7.4): -1.9759624
• Log P: 0.3513928
• Molar Refractivity: 39.8005 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): 0.8

Product Information

• Purity: 95%