N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C25H43IN4O2 — CID 109448692

About N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109448692) has the molecular formula C25H43IN4O2 and a molecular weight of 558.55 g/mol. Its IUPAC name is N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109448692
• Molecular Formula: C25H43IN4O2
• Molecular Weight: 558.55 g/mol
• Exact Mass: 558.24
• IUPAC Name: N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCCCN(C)c1ccccc1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C25H42N4O2.HI/c1-3-26-25(27-16-8-9-17-28(2)22-11-5-4-6-12-22)29-18-14-23(15-19-29)31-21-24-13-7-10-20-30-24;/h4-6,11-12,23-24H,3,7-10,13-21H2,1-2H3,(H,26,27);1H
• InChIKey: LXSNFGSGKRITNN-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 49.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.55
LogP ≤ 5	4.54
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-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109448692) is N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCCN(C)c1ccccc1)N1CCC(OCC2CCCCO2)CC1.I.

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

The InChIKey is LXSNFGSGKRITNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2.HI/c1-3-26-25(27-16-8-9-17-28(2)22-11-5-4-6-12-22)29-18-14-23(15-19-29)31-21-24-13-7-10-20-30-24;/h4-6,11-12,23-24H,3,7-10,13-21H2,1-2H3,(H,26,27);1H.

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

N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 558.55 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[4-(N-methylanilino)butyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109448692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).