N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

C20H29IN6O2 — CID 119153096

About N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119153096) has the molecular formula C20H29IN6O2 and a molecular weight of 512.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 119153096
• Molecular Formula: C20H29IN6O2
• Molecular Weight: 512.40 g/mol
• Exact Mass: 512.14
• IUPAC Name: N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCC(O)c1ccc(C)cc1)N1CCN(c2nccn(C)c2=O)CC1.I
• InChI: InChI=1S/C20H28N6O2.HI/c1-15-4-6-16(7-5-15)17(27)14-23-20(21-2)26-12-10-25(11-13-26)18-19(28)24(3)9-8-22-18;/h4-9,17,27H,10-14H2,1-3H3,(H,21,23);1H
• InChIKey: ONBYDDOFIWGOBC-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 85.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.40
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 119153096) is N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(O)c1ccc(C)cc1)N1CCN(c2nccn(C)c2=O)CC1.I.

What is the InChIKey of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is ONBYDDOFIWGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2.HI/c1-15-4-6-16(7-5-15)17(27)14-23-20(21-2)26-12-10-25(11-13-26)18-19(28)24(3)9-8-22-18;/h4-9,17,27H,10-14H2,1-3H3,(H,21,23);1H.

What are the key properties of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 512.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119153096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).