4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide

C25H37IN4O2 — CID 111133202

About 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide

4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111133202) has the molecular formula C25H37IN4O2 and a molecular weight of 552.50 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111133202
• Molecular Formula: C25H37IN4O2
• Molecular Weight: 552.50 g/mol
• Exact Mass: 552.20
• IUPAC Name: 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCCCCOCCc1ccccc1)N1CCN(c2ccccc2OC)CC1.I
• InChI: InChI=1S/C25H36N4O2.HI/c1-26-25(27-15-8-9-20-31-21-14-22-10-4-3-5-11-22)29-18-16-28(17-19-29)23-12-6-7-13-24(23)30-2;/h3-7,10-13H,8-9,14-21H2,1-2H3,(H,26,27);1H
• InChIKey: IOMPPZWAWYAEBM-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 49.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.50
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide (CID 111133202) is 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCCCOCCc1ccccc1)N1CCN(c2ccccc2OC)CC1.I.

What is the InChIKey of 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide?

The InChIKey is IOMPPZWAWYAEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2.HI/c1-26-25(27-15-8-9-20-31-21-14-22-10-4-3-5-11-22)29-18-16-28(17-19-29)23-12-6-7-13-24(23)30-2;/h3-7,10-13H,8-9,14-21H2,1-2H3,(H,26,27);1H.

What are the key properties of 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide?

4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 552.50 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methoxyphenyl)-N'-methyl-N-[4-(2-phenylethoxy)butyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111133202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).