5-(1-methylpiperidin-2-yl)-2-(pyridin-3-yl)pyridine trihydrochloride

• ChemBase ID: 119334
• Molecular Formular: C16H22Cl3N3
• Molecular Mass: 362.72498
• Monoisotopic Mass: 361.08793076
• SMILES: N1(C(c2cnc(c3cnccc3)cc2)CCCC1)C.Cl.Cl.Cl
• Canonical SMILES: CN1CCCCC1c1ccc(nc1)c1cccnc1.Cl.Cl.Cl
• InChI: InChI=1S/C16H19N3.3ClH/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13;;;/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3;3*1H
• InChIKey: ZIHLGGJGJAYMRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methylpiperidin-2-yl)-2-(pyridin-3-yl)pyridine trihydrochloride
• IUPAC Traditional name: 5-(1-methylpiperidin-2-yl)-2-(pyridin-3-yl)pyridine trihydrochloride
• Synonyms: 5-(1-methylpiperidin-2-yl)-2,3'-bipyridine trihydrochloride

Database IDs

• PubChem SID: 162107526
• PubChem CID: 51051775

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.74845636
• LogD (pH = 7.4): 0.9093636
• Log P: 2.4225066
• Molar Refractivity: 76.8633 cm^3
• Polarizability: 31.414799 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 3 HCl
• Classification: Genuine Natural Compounds