N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide

C22H32IN5O2 — CID 111184459

About N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111184459) has the molecular formula C22H32IN5O2 and a molecular weight of 525.44 g/mol. Its IUPAC name is N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111184459
• Molecular Formula: C22H32IN5O2
• Molecular Weight: 525.44 g/mol
• Exact Mass: 525.16
• IUPAC Name: N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCN(c2ccccc2O)CC1.I
• InChI: InChI=1S/C22H31N5O2.HI/c1-5-23-22(25-15-18-17(3)21(29-4)16(2)14-24-18)27-12-10-26(11-13-27)19-8-6-7-9-20(19)28;/h6-9,14,28H,5,10-13,15H2,1-4H3,(H,23,25);1H
• InChIKey: FEOCIFIYFYNQGS-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 73.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.44
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
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-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 111184459) is N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ncc(C)c(OC)c1C)N1CCN(c2ccccc2O)CC1.I.

What is the InChIKey of N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?

The InChIKey is FEOCIFIYFYNQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.HI/c1-5-23-22(25-15-18-17(3)21(29-4)16(2)14-24-18)27-12-10-26(11-13-27)19-8-6-7-9-20(19)28;/h6-9,14,28H,5,10-13,15H2,1-4H3,(H,23,25);1H.

What are the key properties of N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide?

N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 525.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-(2-hydroxyphenyl)-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111184459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).