2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

C20H36IN5OS — CID 111317859

About 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide

2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (PubChem CID 111317859) has the molecular formula C20H36IN5OS and a molecular weight of 521.51 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
• PubChem CID: 111317859
• Molecular Formula: C20H36IN5OS
• Molecular Weight: 521.51 g/mol
• Exact Mass: 521.17
• IUPAC Name: 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
• SMILES: C/N=C(\NCC(c1cccs1)N1CCOCC1)NC1CCN(C(C)C)CC1.I
• InChI: InChI=1S/C20H35N5OS.HI/c1-16(2)24-8-6-17(7-9-24)23-20(21-3)22-15-18(19-5-4-14-27-19)25-10-12-26-13-11-25;/h4-5,14,16-18H,6-13,15H2,1-3H3,(H2,21,22,23);1H
• InChIKey: CAZTZDIAMKBUHW-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 52.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.51
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide?

The IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide (CID 111317859) is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide.

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

The canonical SMILES for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is C/N=C(\NCC(c1cccs1)N1CCOCC1)NC1CCN(C(C)C)CC1.I.

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

The InChIKey is CAZTZDIAMKBUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5OS.HI/c1-16(2)24-8-6-17(7-9-24)23-20(21-3)22-15-18(19-5-4-14-27-19)25-10-12-26-13-11-25;/h4-5,14,16-18H,6-13,15H2,1-3H3,(H2,21,22,23);1H.

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

2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide has a molecular weight of 521.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide is sourced from PubChem (CID 111317859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).