3-(1-methylpiperidin-2-yl)pyridine

• ChemBase ID: 173312
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: n1cccc(c1)C1N(CCCC1)C
• Canonical SMILES: CN1CCCCC1c1cccnc1
• InChI: InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
• InChIKey: WHAIHNKQZOMXJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylpiperidin-2-yl)pyridine
• IUPAC Traditional name: methylanabasine
• Synonyms: N-Methyl Anabasine; 3-(1-METHYLPIPERIDIN-2-YL)PYRIDINE

Database IDs

• CAS Number: 24380-92-5
• PubChem SID: 164229222
• PubChem CID: 29758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4317534
• LogD (pH = 7.4): 0.26787996
• Log P: 1.6071033
• Molar Refractivity: 54.256 cm^3
• Polarizability: 21.295595 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Yellow to Light Brown Liquid
• Boiling Point: 53-54°C/ 0.1mmHg

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 98%
• Classification: Genuine Natural Compounds