decahydropyrazino[2,3-b]piperazine

• ChemBase ID: 10946
• Molecular Formular: C6H14N4
• Molecular Mass: 142.20216
• Monoisotopic Mass: 142.12184647
• SMILES: C12C(NCCN1)NCCN2
• Canonical SMILES: C1CNC2C(N1)NCCN2
• InChI: InChI=1S/C6H14N4/c1-2-8-6-5(7-1)9-3-4-10-6/h5-10H,1-4H2
• InChIKey: HQJLFRMMLKYIJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydropyrazino[2,3-b]piperazine
• IUPAC Traditional name: decahydropyrazino[2,3-b]piperazine
• Synonyms: Decahydropyrazino[2,3-b]pyrazine

Database IDs

• CAS Number: 5409-42-7
• MDL Number: MFCD00023884
• PubChem SID: 160974253
• PubChem CID: 79418

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.7953612
• LogD (pH = 7.4): -1.0060487
• Log P: -0.9773825
• Molar Refractivity: 38.4038 cm^3
• Polarizability: 16.431282 Å^3
• Polar Surface Area: 48.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false