N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C25H42IN3O4 — CID 109450298

About N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109450298) has the molecular formula C25H42IN3O4 and a molecular weight of 575.53 g/mol. Its IUPAC name is N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109450298
• Molecular Formula: C25H42IN3O4
• Molecular Weight: 575.53 g/mol
• Exact Mass: 575.22
• IUPAC Name: N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCCOCc1ccc(OC)cc1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C25H41N3O4.HI/c1-3-26-25(27-14-6-17-30-19-21-8-10-22(29-2)11-9-21)28-15-12-23(13-16-28)32-20-24-7-4-5-18-31-24;/h8-11,23-24H,3-7,12-20H2,1-2H3,(H,26,27);1H
• InChIKey: NFSIWRYYEYILHL-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 64.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.53
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
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 N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109450298) is N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCOCc1ccc(OC)cc1)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is NFSIWRYYEYILHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O4.HI/c1-3-26-25(27-14-6-17-30-19-21-8-10-22(29-2)11-9-21)28-15-12-23(13-16-28)32-20-24-7-4-5-18-31-24;/h8-11,23-24H,3-7,12-20H2,1-2H3,(H,26,27);1H.

What are the key properties of N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 575.53 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[3-[(4-methoxyphenyl)methoxy]propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109450298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).