2,5-dimethylpiperazine

• ChemBase ID: 109821
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: CC1CNC(C)CN1
• Canonical SMILES: CC1NCC(NC1)C
• InChI: InChI=1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3
• InChIKey: NSMWYRLQHIXVAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpiperazine
• IUPAC Traditional name: 2,5-dimethylpiperazine
• Synonyms: Cis-Trans-2,5-DIMETHYL PIPERAZINE; 2,5-dimethylpiperazine

Database IDs

• CAS Number: 106-55-8
• PubChem SID: 162089245
• PubChem CID: 7816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3561428
• LogD (pH = 7.4): -2.2012966
• Log P: 0.10434322
• Molar Refractivity: 34.2864 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212717

MP Biomedicals Rare Chemical collection