N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide

C19H36IN7O2 — CID 111515592

About N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111515592) has the molecular formula C19H36IN7O2 and a molecular weight of 521.45 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 111515592
• Molecular Formula: C19H36IN7O2
• Molecular Weight: 521.45 g/mol
• Exact Mass: 521.20
• IUPAC Name: N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCc1nncn1CCN/C(=N\CCCN1CCOCC1)N1CCC(O)CC1.I
• InChI: InChI=1S/C19H35N7O2.HI/c1-2-18-23-22-16-26(18)11-7-21-19(25-9-4-17(27)5-10-25)20-6-3-8-24-12-14-28-15-13-24;/h16-17,27H,2-15H2,1H3,(H,20,21);1H
• InChIKey: XHIXDSPDGFHLJG-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 91.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.45
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111515592) is N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide is CCc1nncn1CCN/C(=N\CCCN1CCOCC1)N1CCC(O)CC1.I.

What is the InChIKey of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is XHIXDSPDGFHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7O2.HI/c1-2-18-23-22-16-26(18)11-7-21-19(25-9-4-17(27)5-10-25)20-6-3-8-24-12-14-28-15-13-24;/h16-17,27H,2-15H2,1H3,(H,20,21);1H.

What are the key properties of N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide?

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 521.45 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-hydroxy-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111515592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).