2-chloro-6-(2-ethylpiperidin-1-yl)pyridine

• ChemBase ID: 48692
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: c1(nc(Cl)ccc1)N1C(CC)CCCC1
• Canonical SMILES: CCC1CCCCN1c1cccc(n1)Cl
• InChI: InChI=1S/C12H17ClN2/c1-2-10-6-3-4-9-15(10)12-8-5-7-11(13)14-12/h5,7-8,10H,2-4,6,9H2,1H3
• InChIKey: YMFCITLRBOCZOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(2-ethylpiperidin-1-yl)pyridine
• IUPAC Traditional name: 2-chloro-6-(2-ethylpiperidin-1-yl)pyridine
• Synonyms: 1-(6-Chloro-2-pyridinyl)-2-ethylpiperidine

Database IDs

• MDL Number: MFCD13561963
• PubChem SID: 162053455
• PubChem CID: 53408189

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.071345
• LogD (pH = 7.4): 4.071755
• Log P: 4.07176
• Molar Refractivity: 65.5941 cm^3
• Polarizability: 24.656721 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false