4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

C13H20ClIN4 — CID 111264276

IUPAC4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\N)N1CCN(c2cc(Cl)ccc2C)CC1.I
InChIInChI=1S/C13H19ClN4.HI/c1-10-3-4-11(14)9-12(10)17-5-7-18(8-6-17)13(15)16-2;/h3-4,9H,5-8H2,1-2H3,(H2,15,16);1H
InChIKeyCGKJYGAKXYRWCO-UHFFFAOYSA-N
MW394.69 g/mol
LogP2.33
Rot. Bonds1

About 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111264276) has the molecular formula C13H20ClIN4 and a molecular weight of 394.69 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111264276
Molecular FormulaC13H20ClIN4
Molecular Weight394.69 g/mol
Exact Mass394.04
IUPAC Name4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\N)N1CCN(c2cc(Cl)ccc2C)CC1.I
InChIInChI=1S/C13H19ClN4.HI/c1-10-3-4-11(14)9-12(10)17-5-7-18(8-6-17)13(15)16-2;/h3-4,9H,5-8H2,1-2H3,(H2,15,16);1H
InChIKeyCGKJYGAKXYRWCO-UHFFFAOYSA-N
XLogP2.33
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(2,5-difluorophenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 109451122
4-(5-chloro-2-methylphenyl)-N'-methyl-N-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111264270
4-(5-chloro-2-methylphenyl)-N-(2-ethylsulfonylethyl)-N'-methylpiperazine-1-carboximidamide
CID 111264107
4-(5-chloro-2-methylphenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111264214
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanamide
CID 8591101
4-(5-chloro-2-methylphenyl)-N'-methyl-N-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119131335
4-(5-chloro-2-methylphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111264168
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
7-amino-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]heptan-1-one
CID 119829060
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 111264276) is 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\N)N1CCN(c2cc(Cl)ccc2C)CC1.I.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is CGKJYGAKXYRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4.HI/c1-10-3-4-11(14)9-12(10)17-5-7-18(8-6-17)13(15)16-2;/h3-4,9H,5-8H2,1-2H3,(H2,15,16);1H.
What are the key properties of 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 394.69 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111264276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).