1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide

C24H36IN5O2 — CID 109405016

About 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide

1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide (PubChem CID 109405016) has the molecular formula C24H36IN5O2 and a molecular weight of 553.49 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
• PubChem CID: 109405016
• Molecular Formula: C24H36IN5O2
• Molecular Weight: 553.49 g/mol
• Exact Mass: 553.19
• IUPAC Name: 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCOCc1ccccc1OC)NC1CCN(Cc2ccccn2)CC1.I
• InChI: InChI=1S/C24H35N5O2.HI/c1-3-25-24(27-14-17-31-19-20-8-4-5-10-23(20)30-2)28-21-11-15-29(16-12-21)18-22-9-6-7-13-26-22;/h4-10,13,21H,3,11-12,14-19H2,1-2H3,(H2,25,27,28);1H
• InChIKey: VFWHBHYCAIRWPC-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 71.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.49
LogP ≤ 5	3.44
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-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?

The IUPAC name of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide (CID 109405016) is 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide is CCN/C(=N\CCOCc1ccccc1OC)NC1CCN(Cc2ccccn2)CC1.I.

What is the InChIKey of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?

The InChIKey is VFWHBHYCAIRWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2.HI/c1-3-25-24(27-14-17-31-19-20-8-4-5-10-23(20)30-2)28-21-11-15-29(16-12-21)18-22-9-6-7-13-26-22;/h4-10,13,21H,3,11-12,14-19H2,1-2H3,(H2,25,27,28);1H.

What are the key properties of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide?

1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide has a molecular weight of 553.49 g/mol, XLogP of 3.44, 10 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-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide is sourced from PubChem (CID 109405016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).