1-(3-chloropyridin-2-yl)-4-ethylpiperazine

• ChemBase ID: 290945
• Molecular Formular: C11H16ClN3
• Molecular Mass: 225.71784
• Monoisotopic Mass: 225.10327521
• SMILES: CCN1CCN(c2ncccc2Cl)CC1
• Canonical SMILES: CCN1CCN(CC1)c1ncccc1Cl
• InChI: InChI=1S/C11H16ClN3/c1-2-14-6-8-15(9-7-14)11-10(12)4-3-5-13-11/h3-5H,2,6-9H2,1H3
• InChIKey: PQNPCCOIXGMFSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chloropyridin-2-yl)-4-ethylpiperazine
• IUPAC Traditional name: 1-(3-chloropyridin-2-yl)-4-ethylpiperazine
• Synonyms: 1-(3-Chloropyridin-2-yl)-4-ethylpiperazine

Database IDs

• CAS Number: 1280786-84-6
• PubChem SID: 180676476
• PubChem CID: 53217443

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8713832
• LogD (pH = 7.4): 2.1523514
• Log P: 2.266047
• Molar Refractivity: 64.2467 cm^3
• Polarizability: 24.300169 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%