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

• ChemBase ID: 62997
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: c1(c(nccn1)C1CCNCC1)NC.Cl.Cl
• Canonical SMILES: CNc1nccnc1C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-11-10-9(13-6-7-14-10)8-2-4-12-5-3-8;;/h6-8,12H,2-5H2,1H3,(H,11,14);2*1H
• InChIKey: QRSSLCGHZWXHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(piperidin-4-yl)pyrazin-2-amine dihydrochloride
• IUPAC Traditional name: N-methyl-3-(piperidin-4-yl)pyrazin-2-amine dihydrochloride
• Synonyms: Methyl-(3-piperidin-4-yl-pyrazin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606236
• PubChem SID: 162028736
• PubChem CID: 71298955

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3754737
• LogD (pH = 7.4): -2.624107
• Log P: -0.15991533
• Molar Refractivity: 57.2746 cm^3
• Polarizability: 21.442919 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false