(3S)-1,3-dimethylpiperazine

• ChemBase ID: 306841
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1(C[C@@H](NCC1)C)C
• Canonical SMILES: CN1CCN[C@H](C1)C
• InChI: InChI=1S/C6H14N2/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H3/t6-/m0/s1
• InChIKey: FMMUNDXXVADKHS-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1,3-dimethylpiperazine
• IUPAC Traditional name: (3S)-1,3-dimethylpiperazine
• Synonyms: (3S)-1,3-dimethylpiperazine

Database IDs

• CAS Number: 1152367-80-0
• MDL Number: MFCD11114436

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