2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide

C23H41IN6 — CID 111320183

About 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide

2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide (PubChem CID 111320183) has the molecular formula C23H41IN6 and a molecular weight of 528.53 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
• PubChem CID: 111320183
• Molecular Formula: C23H41IN6
• Molecular Weight: 528.53 g/mol
• Exact Mass: 528.24
• IUPAC Name: 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
• SMILES: C/N=C(/NCc1ccc(N2CCC(C)CC2)nc1)NCC(C)(C)N1CCCCC1.I
• InChI: InChI=1S/C23H40N6.HI/c1-19-10-14-28(15-11-19)21-9-8-20(16-25-21)17-26-22(24-4)27-18-23(2,3)29-12-6-5-7-13-29;/h8-9,16,19H,5-7,10-15,17-18H2,1-4H3,(H2,24,26,27);1H
• InChIKey: OUMCNFZQXKIUMF-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 55.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.53
LogP ≤ 5	3.87
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 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide (CID 111320183) is 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide.

What is the SMILES notation for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide?

The canonical SMILES for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide is C/N=C(/NCc1ccc(N2CCC(C)CC2)nc1)NCC(C)(C)N1CCCCC1.I.

What is the InChIKey of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide?

The InChIKey is OUMCNFZQXKIUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6.HI/c1-19-10-14-28(15-11-19)21-9-8-20(16-25-21)17-26-22(24-4)27-18-23(2,3)29-12-6-5-7-13-29;/h8-9,16,19H,5-7,10-15,17-18H2,1-4H3,(H2,24,26,27);1H.

What are the key properties of 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide?

2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide has a molecular weight of 528.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111320183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).