N-methyl-3-(piperidin-3-yl)pyrazin-2-amine hydrochloride

• ChemBase ID: 62817
• Molecular Formular: C10H17ClN4
• Molecular Mass: 228.72178
• Monoisotopic Mass: 228.11417424
• SMILES: c1(c(nccn1)NC)C1CNCCC1.Cl
• Canonical SMILES: CNc1nccnc1C1CCCNC1.Cl
• InChI: InChI=1S/C10H16N4.ClH/c1-11-10-9(13-5-6-14-10)8-3-2-4-12-7-8;/h5-6,8,12H,2-4,7H2,1H3,(H,11,14);1H
• InChIKey: PUIWYXLAINQVEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606090
• PubChem SID: 162028556
• PubChem CID: 71298824

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1868966
• LogD (pH = 7.4): -2.1487286
• Log P: -0.004007864
• Molar Refractivity: 57.1206 cm^3
• Polarizability: 21.442463 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