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

C23H39IN4O2 — CID 109405050

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

1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide (PubChem CID 109405050) has the molecular formula C23H39IN4O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
• PubChem CID: 109405050
• Molecular Formula: C23H39IN4O2
• Molecular Weight: 530.50 g/mol
• Exact Mass: 530.21
• IUPAC Name: 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CCOCc1ccccc1OC)NC1CCN(C2CCCC2)CC1.I
• InChI: InChI=1S/C23H38N4O2.HI/c1-3-24-23(25-14-17-29-18-19-8-4-7-11-22(19)28-2)26-20-12-15-27(16-13-20)21-9-5-6-10-21;/h4,7-8,11,20-21H,3,5-6,9-10,12-18H2,1-2H3,(H2,24,25,26);1H
• InChIKey: YVHJDBPBWANTQL-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 58.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.50
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide?

The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide (CID 109405050) is 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide.

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

The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide is CCN/C(=N\CCOCc1ccccc1OC)NC1CCN(C2CCCC2)CC1.I.

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

The InChIKey is YVHJDBPBWANTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2.HI/c1-3-24-23(25-14-17-29-18-19-8-4-7-11-22(19)28-2)26-20-12-15-27(16-13-20)21-9-5-6-10-21;/h4,7-8,11,20-21H,3,5-6,9-10,12-18H2,1-2H3,(H2,24,25,26);1H.

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

1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide has a molecular weight of 530.50 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 109405050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).