2-methyl-octahydro-1H-pyrazino[1,2-a]piperazine

• ChemBase ID: 309106
• Molecular Formular: C8H17N3
• Molecular Mass: 155.24068
• Monoisotopic Mass: 155.14224756
• SMILES: N12C(CN(CC1)C)CNCC2
• Canonical SMILES: CN1CCN2C(C1)CNCC2
• InChI: InChI=1S/C8H17N3/c1-10-4-5-11-3-2-9-6-8(11)7-10/h8-9H,2-7H2,1H3
• InChIKey: COECZYAXFDJEEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-octahydro-1H-pyrazino[1,2-a]piperazine
• IUPAC Traditional name: 2-methyl-octahydropyrazino[1,2-a]piperazine
• Synonyms: 2-methyloctahydro-2H-pyrazino[1,2-a]pyrazine

Database IDs

• CAS Number: 63285-62-1
• MDL Number: MFCD11878615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.645401
• LogD (pH = 7.4): -2.7647786
• Log P: -0.43887225
• Molar Refractivity: 46.4638 cm^3
• Polarizability: 18.59535 Å^3
• Polar Surface Area: 18.51 Å^2