N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide

C25H42IN3O3 — CID 109449094

About N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide

N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109449094) has the molecular formula C25H42IN3O3 and a molecular weight of 559.53 g/mol. Its IUPAC name is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109449094
• Molecular Formula: C25H42IN3O3
• Molecular Weight: 559.53 g/mol
• Exact Mass: 559.23
• IUPAC Name: N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCCCOCc1ccccc1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C25H41N3O3.HI/c1-2-26-25(27-15-7-9-18-29-20-22-10-4-3-5-11-22)28-16-13-23(14-17-28)31-21-24-12-6-8-19-30-24;/h3-5,10-11,23-24H,2,6-9,12-21H2,1H3,(H,26,27);1H
• InChIKey: GPXHNYPAXDESCZ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 55.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.53
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
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 N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide (CID 109449094) is N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCCOCc1ccccc1)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is GPXHNYPAXDESCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O3.HI/c1-2-26-25(27-15-7-9-18-29-20-22-10-4-3-5-11-22)28-16-13-23(14-17-28)31-21-24-12-6-8-19-30-24;/h3-5,10-11,23-24H,2,6-9,12-21H2,1H3,(H,26,27);1H.

What are the key properties of N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide?

N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 559.53 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-(oxan-2-ylmethoxy)-N'-(4-phenylmethoxybutyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109449094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).