4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide

C18H23ClN4OS — CID 111823913

IUPAC4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1
InChIInChI=1S/C18H23ClN4OS/c1-18(24,14-6-11-25-12-14)13-21-17(20)23-9-7-22(8-10-23)16-4-2-15(19)3-5-16/h2-6,11-12,24H,7-10,13H2,1H3,(H2,20,21)
InChIKeyZTAGTBFZFXHBJQ-UHFFFAOYSA-N
MW378.93 g/mol
LogP2.75
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide

4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide (PubChem CID 111823913) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide
PubChem CID111823913
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1
InChIInChI=1S/C18H23ClN4OS/c1-18(24,14-6-11-25-12-14)13-21-17(20)23-9-7-22(8-10-23)16-4-2-15(19)3-5-16/h2-6,11-12,24H,7-10,13H2,1H3,(H2,20,21)
InChIKeyZTAGTBFZFXHBJQ-UHFFFAOYSA-N
XLogP2.75
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide
CID 111823981
N'-(2-hydroxy-2-thiophen-3-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119148462
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
tert-butyl 4-[N'-(2-hydroxy-2-thiophen-3-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111823945
4-(4-chlorophenyl)-N'-(2-ethyl-2-hydroxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 111089094
N'-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111823761
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
N'-[2-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-carboximidamide
CID 122095345
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111654442
4-(4-chlorophenyl)-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111071067
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide (CID 111823913) is 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide is CC(O)(C/N=C(\N)N1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide?
The InChIKey is ZTAGTBFZFXHBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-18(24,14-6-11-25-12-14)13-21-17(20)23-9-7-22(8-10-23)16-4-2-15(19)3-5-16/h2-6,11-12,24H,7-10,13H2,1H3,(H2,20,21).
What are the key properties of 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide has a molecular weight of 378.93 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111823913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).