3-(piperidin-2-yl)(2H4)pyridine

• ChemBase ID: 160605
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c1ccncc1C1NCCCC1
• Canonical SMILES: C1CCC(NC1)c1cccnc1
• InChI: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
• InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-2-yl)(^2H₄)pyridine
• IUPAC Traditional name: 3-(piperidin-2-yl)(^2H₄)pyridine
• Synonyms: (R,S)-3-(2-Piperidinyl)pyridine-2,4,5,6-d4; (R,S)-Anabasine-2,4,5,6-d4

Database IDs

• CAS Number: 1020719-08-7
• PubChem SID: 162254740
• PubChem CID: 45038163

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9107507
• LogD (pH = 7.4): -0.6504358
• Log P: 1.2240554
• Molar Refractivity: 48.9613 cm^3
• Polarizability: 19.475058 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Oil
• Boiling Point: 270-272°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - A637180

A nicotinic receptor agonist; brain rubidium efflux pharmacol.

REFERENCES

• Alkondon, M., et al.: J. Pharmacol. Exp. Ther., 271, 494 (1994)
• Wang, F., et al.: J. Biol. Chem., 271, 17656 (1994)
• Corringer, P., et al.: J. Neurosci., 18, 648 (1994)