4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide

C14H22ClIN4O — CID 111025315

IUPAC4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(O)C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C14H21ClN4O.HI/c1-11(20)10-17-14(16)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13;/h2-5,11,20H,6-10H2,1H3,(H2,16,17);1H
InChIKeyPTBLLJGDSPCPMN-UHFFFAOYSA-N
MW424.71 g/mol
LogP1.78
Rot. Bonds3

About 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide

4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111025315) has the molecular formula C14H22ClIN4O and a molecular weight of 424.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111025315
Molecular FormulaC14H22ClIN4O
Molecular Weight424.71 g/mol
Exact Mass424.05
IUPAC Name4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(O)C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.I
InChIInChI=1S/C14H21ClN4O.HI/c1-11(20)10-17-14(16)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13;/h2-5,11,20H,6-10H2,1H3,(H2,16,17);1H
InChIKeyPTBLLJGDSPCPMN-UHFFFAOYSA-N
XLogP1.78
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.71
LogP ≤ 51.78
H-Bond Donors ≤ 52
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-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
N-[2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111030905
4-(4-chlorophenyl)-N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111027583
4-(4-chlorophenyl)-N'-[2-(4-ethylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111057235
3-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111073388
4-(4-chlorophenyl)-N'-(2-sulfamoylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111046626
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
4-(4-chlorophenyl)-N'-(3-methylsulfonylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111067213
4-(4-chlorophenyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111066916
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-[[1-(difluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120662414

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide (CID 111025315) is 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide is CC(O)C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1.I.
What is the InChIKey of 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is PTBLLJGDSPCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O.HI/c1-11(20)10-17-14(16)19-8-6-18(7-9-19)13-4-2-12(15)3-5-13;/h2-5,11,20H,6-10H2,1H3,(H2,16,17);1H.
What are the key properties of 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide?
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 424.71 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111025315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).