N,N-dimethyl-3-(piperidin-4-yl)pyrazin-2-amine dihydrochloride

• ChemBase ID: 62832
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: c1(c(nccn1)C1CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1nccnc1C1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-15(2)11-10(13-7-8-14-11)9-3-5-12-6-4-9;;/h7-9,12H,3-6H2,1-2H3;2*1H
• InChIKey: AGPYEGQNUWGGNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(piperidin-4-yl)pyrazin-2-amine dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-3-(piperidin-4-yl)pyrazin-2-amine dihydrochloride
• Synonyms: Dimethyl-(3-piperidin-4-yl-pyrazin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606102
• PubChem SID: 162028571
• PubChem CID: 71298836

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.740042
• LogD (pH = 7.4): -1.9869219
• Log P: 0.4753504
• Molar Refractivity: 61.5094 cm^3
• Polarizability: 23.28429 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false