4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide

C18H24FIN4S — CID 111816893

IUPAC4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)c1cccs1.I
InChIInChI=1S/C18H23FN4S.HI/c1-14(17-3-2-12-24-17)13-21-18(20)23-10-8-22(9-11-23)16-6-4-15(19)5-7-16;/h2-7,12,14H,8-11,13H2,1H3,(H2,20,21);1H
InChIKeySNLFPJUYCMNSCP-UHFFFAOYSA-N
MW474.39 g/mol
LogP3.75
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111816893) has the molecular formula C18H24FIN4S and a molecular weight of 474.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111816893
Molecular FormulaC18H24FIN4S
Molecular Weight474.39 g/mol
Exact Mass474.08
IUPAC Name4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)c1cccs1.I
InChIInChI=1S/C18H23FN4S.HI/c1-14(17-3-2-12-24-17)13-21-18(20)23-10-8-22(9-11-23)16-6-4-15(19)5-7-16;/h2-7,12,14H,8-11,13H2,1H3,(H2,20,21);1H
InChIKeySNLFPJUYCMNSCP-UHFFFAOYSA-N
XLogP3.75
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.75
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-(4-fluorophenyl)-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111029896
4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111097686
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
CID 110032524
N'-(2-bromoprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120602
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111802248
4-(4-fluorophenyl)-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide;hydroiodide
CID 111822733
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
4-(4-fluorophenyl)-N'-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111819375

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide (CID 111816893) is 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide is CC(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)c1cccs1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is SNLFPJUYCMNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4S.HI/c1-14(17-3-2-12-24-17)13-21-18(20)23-10-8-22(9-11-23)16-6-4-15(19)5-7-16;/h2-7,12,14H,8-11,13H2,1H3,(H2,20,21);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 474.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111816893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).