1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

C24H43IN6O2 — CID 111021952

About 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111021952) has the molecular formula C24H43IN6O2 and a molecular weight of 574.55 g/mol. Its IUPAC name is 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
• PubChem CID: 111021952
• Molecular Formula: C24H43IN6O2
• Molecular Weight: 574.55 g/mol
• Exact Mass: 574.25
• IUPAC Name: 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(C)N1CCOCC1)NCCCN1CCN(c2ccc(OC)cc2)CC1.I
• InChI: InChI=1S/C24H42N6O2.HI/c1-4-25-24(27-20-21(2)29-16-18-32-19-17-29)26-10-5-11-28-12-14-30(15-13-28)22-6-8-23(31-3)9-7-22;/h6-9,21H,4-5,10-20H2,1-3H3,(H2,25,26,27);1H
• InChIKey: GKLRIYGIRXBDSR-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 64.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.55
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111021952) is 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)NCCCN1CCN(c2ccc(OC)cc2)CC1.I.

What is the InChIKey of 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

The InChIKey is GKLRIYGIRXBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O2.HI/c1-4-25-24(27-20-21(2)29-16-18-32-19-17-29)26-10-5-11-28-12-14-30(15-13-28)22-6-8-23(31-3)9-7-22;/h6-9,21H,4-5,10-20H2,1-3H3,(H2,25,26,27);1H.

What are the key properties of 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?

1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 574.55 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111021952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).