2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

• ChemBase ID: 246393
• Molecular Formular: C11H16Cl2N2
• Molecular Mass: 247.16414
• Monoisotopic Mass: 246.06905388
• SMILES: C1(=CCNCC1)c1cnc(cc1)C.Cl.Cl
• Canonical SMILES: Cc1ccc(cn1)C1=CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H14N2.2ClH/c1-9-2-3-11(8-13-9)10-4-6-12-7-5-10;;/h2-4,8,12H,5-7H2,1H3;2*1H
• InChIKey: LTGBYQNBDXNDHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride
• IUPAC Traditional name: 2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride
• Synonyms: 2-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridine dihydrochloride

Database IDs

• PubChem SID: 164302303
• PubChem CID: 71757974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.537726
• LogD (pH = 7.4): -1.2473751
• Log P: 0.8810698
• Molar Refractivity: 54.6096 cm^3
• Polarizability: 21.06128 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.241

Product Information

• Purity: 95%