2-(piperidin-2-yl)pyrazine hydrochloride

• ChemBase ID: 62512
• Molecular Formular: C9H14ClN3
• Molecular Mass: 199.68056
• Monoisotopic Mass: 199.08762514
• SMILES: c1(nccnc1)C1NCCCC1.Cl
• Canonical SMILES: C1CCC(NC1)c1cnccn1.Cl
• InChI: InChI=1S/C9H13N3.ClH/c1-2-4-11-8(3-1)9-7-10-5-6-12-9;/h5-8,11H,1-4H2;1H
• InChIKey: SFWKQHTZPRGYCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-2-yl)pyrazine hydrochloride
• IUPAC Traditional name: 2-(piperidin-2-yl)pyrazine hydrochloride
• Synonyms: 2-Piperidin-2-yl-pyrazine hydrochloride

Database IDs

• MDL Number: MFCD21605994
• PubChem SID: 162028251
• PubChem CID: 71298744

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3010476
• LogD (pH = 7.4): -0.5680488
• Log P: 0.2400441
• Molar Refractivity: 46.3573 cm^3
• Polarizability: 18.536491 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false