1,3-dimethylpiperazine

• ChemBase ID: 272869
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(CC(NCC1)C)C
• Canonical SMILES: CN1CCNC(C1)C
• InChI: InChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3
• InChIKey: FMMUNDXXVADKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 22317-01-7
• MDL Number: MFCD11858481
• PubChem SID: 164328779
• PubChem CID: 13152035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.413986
• LogD (pH = 7.4): -2.1041572
• Log P: 0.07081613
• Molar Refractivity: 35.1623 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.111

Product Information

• Purity: 95%