5-methyl-2-(piperidin-4-yl)pyridine hydrochloride

• ChemBase ID: 62804
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: n1c(ccc(c1)C)C1CCNCC1.Cl
• Canonical SMILES: Cc1ccc(nc1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H16N2.ClH/c1-9-2-3-11(13-8-9)10-4-6-12-7-5-10;/h2-3,8,10,12H,4-7H2,1H3;1H
• InChIKey: VYNQGXROFDCNOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(piperidin-4-yl)pyridine hydrochloride
• IUPAC Traditional name: 5-methyl-2-(piperidin-4-yl)pyridine hydrochloride
• Synonyms: 5-Methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl hydrochloride

Database IDs

• MDL Number: MFCD21606082
• PubChem SID: 162028543
• PubChem CID: 71298816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7274762
• LogD (pH = 7.4): -1.0004148
• Log P: 1.5039428
• Molar Refractivity: 53.9654 cm^3
• Polarizability: 21.140135 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false