4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

C20H33ClIN5 — CID 111177797

IUPAC4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1CCN(C)CC1)N1CCN(c2ccccc2Cl)CC1.I
InChIInChI=1S/C20H32ClN5.HI/c1-22-20(23-10-7-17-8-11-24(2)12-9-17)26-15-13-25(14-16-26)19-6-4-3-5-18(19)21;/h3-6,17H,7-16H2,1-2H3,(H,22,23);1H
InChIKeyWFMMWWXTSRNPJF-UHFFFAOYSA-N
MW505.88 g/mol
LogP3.39
Rot. Bonds4

About 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide

4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111177797) has the molecular formula C20H33ClIN5 and a molecular weight of 505.88 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111177797
Molecular FormulaC20H33ClIN5
Molecular Weight505.88 g/mol
Exact Mass505.15
IUPAC Name4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC1CCN(C)CC1)N1CCN(c2ccccc2Cl)CC1.I
InChIInChI=1S/C20H32ClN5.HI/c1-22-20(23-10-7-17-8-11-24(2)12-9-17)26-15-13-25(14-16-26)19-6-4-3-5-18(19)21;/h3-6,17H,7-16H2,1-2H3,(H,22,23);1H
InChIKeyWFMMWWXTSRNPJF-UHFFFAOYSA-N
XLogP3.39
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-benzyl-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111152941
4-(2-chlorophenyl)-N'-methyl-N-(2-methylsulfanylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111177513
4-(4-methoxyphenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111242058
4-(2-chlorophenyl)-N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111177382
4-(2-chlorophenyl)-N'-methyl-N-(oxolan-3-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111177775
4-(2-chlorophenyl)-N-(2-ethoxyethyl)-N'-methylpiperazine-1-carboximidamide
CID 111177618
4-(2-chlorophenyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111177333
4-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111177522
4-(2-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111177346
N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263120
1-[3-[[C-[4-(2-chlorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111177805
4-(2-chlorophenyl)-N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine-1-carboximidamide
CID 111177406

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide (CID 111177797) is 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCC1CCN(C)CC1)N1CCN(c2ccccc2Cl)CC1.I.
What is the InChIKey of 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WFMMWWXTSRNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5.HI/c1-22-20(23-10-7-17-8-11-24(2)12-9-17)26-15-13-25(14-16-26)19-6-4-3-5-18(19)21;/h3-6,17H,7-16H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide?
4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 505.88 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111177797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).