1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

C22H46IN5O — CID 111317119

About 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111317119) has the molecular formula C22H46IN5O and a molecular weight of 523.55 g/mol. Its IUPAC name is 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
• PubChem CID: 111317119
• Molecular Formula: C22H46IN5O
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.27
• IUPAC Name: 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(C(CC)CC)N1CCOCC1)NC1CCN(C(C)C)CC1.I
• InChI: InChI=1S/C22H45N5O.HI/c1-6-19(7-2)21(27-13-15-28-16-14-27)17-24-22(23-8-3)25-20-9-11-26(12-10-20)18(4)5;/h18-21H,6-17H2,1-5H3,(H2,23,24,25);1H
• InChIKey: DACHILPCZMHIBC-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 52.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	3.17
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 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (CID 111317119) is 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is CCN/C(=N\CC(C(CC)CC)N1CCOCC1)NC1CCN(C(C)C)CC1.I.

What is the InChIKey of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?

The InChIKey is DACHILPCZMHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N5O.HI/c1-6-19(7-2)21(27-13-15-28-16-14-27)17-24-22(23-8-3)25-20-9-11-26(12-10-20)18(4)5;/h18-21H,6-17H2,1-5H3,(H2,23,24,25);1H.

What are the key properties of 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?

1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 523.55 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111317119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).