4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide

C14H22ClIN4 — CID 110911931

IUPAC4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C14H21ClN4.HI/c1-2-7-17-14(16)19-10-8-18(9-11-19)13-5-3-12(15)4-6-13;/h3-6H,2,7-11H2,1H3,(H2,16,17);1H
InChIKeyUYGDGIHDKSIXKI-UHFFFAOYSA-N
MW408.72 g/mol
LogP2.80
Rot. Bonds3

About 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110911931) has the molecular formula C14H22ClIN4 and a molecular weight of 408.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110911931
Molecular FormulaC14H22ClIN4
Molecular Weight408.72 g/mol
Exact Mass408.06
IUPAC Name4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
SMILESCCC/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C14H21ClN4.HI/c1-2-7-17-14(16)19-10-8-18(9-11-19)13-5-3-12(15)4-6-13;/h3-6H,2,7-11H2,1H3,(H2,16,17);1H
InChIKeyUYGDGIHDKSIXKI-UHFFFAOYSA-N
XLogP2.80
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.72
LogP ≤ 52.80
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

4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
3-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111073388
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111066916
4-(4-chlorophenyl)-N'-(2-thiomorpholin-4-ylethyl)piperazine-1-carboximidamide
CID 119146625

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide (CID 110911931) is 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide is CCC/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.I.
What is the InChIKey of 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is UYGDGIHDKSIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4.HI/c1-2-7-17-14(16)19-10-8-18(9-11-19)13-5-3-12(15)4-6-13;/h3-6H,2,7-11H2,1H3,(H2,16,17);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 408.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110911931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).