1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide

C₁₃H₂₃IN₂ — CID 156630785

About 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide

1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide (PubChem CID 156630785) has the molecular formula C₁₃H₂₃IN₂ and a molecular weight of 334.25 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide.

Molecular Properties

• Compound Name: 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide
• PubChem CID: 156630785
• Molecular Formula: C₁₃H₂₃IN₂
• Molecular Weight: 334.25 g/mol
• Exact Mass: 334.09
• IUPAC Name: 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide
• SMILES: C[N+]1=CC=C(N2CCCCC2)CC1(C)C.[I-]
• InChI: InChI=1S/C13H23N2.HI/c1-13(2)11-12(7-10-14(13)3)15-8-5-4-6-9-15;/h7,10H,4-6,8-9,11H2,1-3H3;1H/q+1;/p-1
• InChIKey: KSSUSOOZDRLGOH-UHFFFAOYSA-M
• XLogP: -0.74
• TPSA: 6.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.25
LogP ≤ 5	-0.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?

The IUPAC name of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide (CID 156630785) is 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide.

What is the SMILES notation for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?

The canonical SMILES for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide is C[N+]1=CC=C(N2CCCCC2)CC1(C)C.[I-].

What is the InChIKey of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?

The InChIKey is KSSUSOOZDRLGOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H23N2.HI/c1-13(2)11-12(7-10-14(13)3)15-8-5-4-6-9-15;/h7,10H,4-6,8-9,11H2,1-3H3;1H/q+1;/p-1.

What are the key properties of 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide?

1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide has a molecular weight of 334.25 g/mol, XLogP of -0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2-trimethyl-4-piperidin-1-yl-3H-pyridin-1-ium iodide is sourced from PubChem (CID 156630785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156630785 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.