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

C20H36IN5O2 — CID 109449066

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

N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109449066) has the molecular formula C20H36IN5O2 and a molecular weight of 505.45 g/mol. Its IUPAC name is N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109449066
• Molecular Formula: C20H36IN5O2
• Molecular Weight: 505.45 g/mol
• Exact Mass: 505.19
• IUPAC Name: N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCc1cnn(C)c1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C20H35N5O2.HI/c1-3-21-20(22-10-7-17-14-23-24(2)15-17)25-11-8-18(9-12-25)27-16-19-6-4-5-13-26-19;/h14-15,18-19H,3-13,16H2,1-2H3,(H,21,22);1H
• InChIKey: YKYCTAHDTUEGLG-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 63.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.45
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109449066) is N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cnn(C)c1)N1CCC(OCC2CCCCO2)CC1.I.

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

The InChIKey is YKYCTAHDTUEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2.HI/c1-3-21-20(22-10-7-17-14-23-24(2)15-17)25-11-8-18(9-12-25)27-16-19-6-4-5-13-26-19;/h14-15,18-19H,3-13,16H2,1-2H3,(H,21,22);1H.

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

N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 505.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109449066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).