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

• ChemBase ID: 218266
• Molecular Formular: C11H17IN2
• Molecular Mass: 304.17055
• Monoisotopic Mass: 304.04364655
• SMILES: N1(C(c2cnccc2)CCCC1)C.I
• Canonical SMILES: CN1CCCCC1c1cccnc1.I
• InChI: InChI=1S/C11H16N2.HI/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;1H
• InChIKey: IIUOXNCPDDBENB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylpiperidin-2-yl)pyridine hydroiodide
• IUPAC Traditional name: methylanabasine hydroiodide

Database IDs

• PubChem SID: 164274176
• PubChem CID: 71753298

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

Product Information

• Salt Data: HI
• Classification: Derivatives & analogs of Natural Compounds