2-(piperidin-4-ylmethyl)pyrazine dihydrochloride

• ChemBase ID: 62503
• Molecular Formular: C10H17Cl2N3
• Molecular Mass: 250.16808
• Monoisotopic Mass: 249.07995292
• SMILES: N1CCC(Cc2nccnc2)CC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Cc1nccnc1.Cl.Cl
• InChI: InChI=1S/C10H15N3.2ClH/c1-3-11-4-2-9(1)7-10-8-12-5-6-13-10;;/h5-6,8-9,11H,1-4,7H2;2*1H
• InChIKey: QOFKJSXOFREZLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-ylmethyl)pyrazine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-4-ylmethyl)pyrazine dihydrochloride
• Synonyms: 2-Piperidin-4-ylmethyl-pyrazine dihydrochloride

Database IDs

• MDL Number: MFCD21605992
• PubChem SID: 162028242
• PubChem CID: 71298740

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2701347
• LogD (pH = 7.4): -2.8131554
• Log P: -0.038549498
• Molar Refractivity: 51.3424 cm^3
• Polarizability: 20.30581 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false