1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C23H41IN6O — CID 111965070

About 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111965070) has the molecular formula C23H41IN6O and a molecular weight of 544.53 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
• PubChem CID: 111965070
• Molecular Formula: C23H41IN6O
• Molecular Weight: 544.53 g/mol
• Exact Mass: 544.24
• IUPAC Name: 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)NCCCN1CCCCC1C.I
• InChI: InChI=1S/C23H40N6O.HI/c1-4-24-23(26-10-7-13-28-12-6-5-8-19(28)2)27-17-21-9-11-25-22(16-21)29-14-15-30-20(3)18-29;/h9,11,16,19-20H,4-8,10,12-15,17-18H2,1-3H3,(H2,24,26,27);1H
• InChIKey: HYHUVRLQRUVZSL-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 65.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.53
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111965070) is 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccnc(N2CCOC(C)C2)c1)NCCCN1CCCCC1C.I.

What is the InChIKey of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

The InChIKey is HYHUVRLQRUVZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6O.HI/c1-4-24-23(26-10-7-13-28-12-6-5-8-19(28)2)27-17-21-9-11-25-22(16-21)29-14-15-30-20(3)18-29;/h9,11,16,19-20H,4-8,10,12-15,17-18H2,1-3H3,(H2,24,26,27);1H.

What are the key properties of 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?

1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 544.53 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111965070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).