1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

C26H37IN6 — CID 109458919

About 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide

1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 109458919) has the molecular formula C26H37IN6 and a molecular weight of 560.53 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
• PubChem CID: 109458919
• Molecular Formula: C26H37IN6
• Molecular Weight: 560.53 g/mol
• Exact Mass: 560.21
• IUPAC Name: 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCc1cn2cccc(C)c2n1)NC1CCN(Cc2ccccc2)C(C)C1.I
• InChI: InChI=1S/C26H36N6.HI/c1-4-27-26(28-14-12-24-19-32-15-8-9-20(2)25(32)29-24)30-23-13-16-31(21(3)17-23)18-22-10-6-5-7-11-22;/h5-11,15,19,21,23H,4,12-14,16-18H2,1-3H3,(H2,27,28,30);1H
• InChIKey: IJXUPMIIFXUSTL-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 56.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.53
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide (CID 109458919) is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide.

What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCc1cn2cccc(C)c2n1)NC1CCN(Cc2ccccc2)C(C)C1.I.

What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

The InChIKey is IJXUPMIIFXUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6.HI/c1-4-27-26(28-14-12-24-19-32-15-8-9-20(2)25(32)29-24)30-23-13-16-31(21(3)17-23)18-22-10-6-5-7-11-22;/h5-11,15,19,21,23H,4,12-14,16-18H2,1-3H3,(H2,27,28,30);1H.

What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide?

1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 560.53 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 109458919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).