4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide

C21H37IN6O — CID 111960138

About 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111960138) has the molecular formula C21H37IN6O and a molecular weight of 516.47 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 111960138
• Molecular Formula: C21H37IN6O
• Molecular Weight: 516.47 g/mol
• Exact Mass: 516.21
• IUPAC Name: 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1ccnc(N2CCN(C)CC2)c1)N1CCC(OCC)CC1.I
• InChI: InChI=1S/C21H36N6O.HI/c1-4-22-21(27-10-7-19(8-11-27)28-5-2)24-17-18-6-9-23-20(16-18)26-14-12-25(3)13-15-26;/h6,9,16,19H,4-5,7-8,10-15,17H2,1-3H3,(H,22,24);1H
• InChIKey: GXTIGATZMRXJFL-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 56.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.47
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide (CID 111960138) is 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccnc(N2CCN(C)CC2)c1)N1CCC(OCC)CC1.I.

What is the InChIKey of 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

The InChIKey is GXTIGATZMRXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6O.HI/c1-4-22-21(27-10-7-19(8-11-27)28-5-2)24-17-18-6-9-23-20(16-18)26-14-12-25(3)13-15-26;/h6,9,16,19H,4-5,7-8,10-15,17H2,1-3H3,(H,22,24);1H.

What are the key properties of 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide?

4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 516.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-ethyl-N'-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111960138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).