4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide

C16H19ClN4O — CID 119118862

IUPAC4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccoc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O/c17-14-1-3-15(4-2-14)20-6-8-21(9-7-20)16(18)19-11-13-5-10-22-12-13/h1-5,10,12H,6-9,11H2,(H2,18,19)
InChIKeyWWYINDCVGGYJDK-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.57
Rot. Bonds3

About 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide

4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide (PubChem CID 119118862) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
PubChem CID119118862
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide
SMILESN/C(=N\Cc1ccoc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H19ClN4O/c17-14-1-3-15(4-2-14)20-6-8-21(9-7-20)16(18)19-11-13-5-10-22-12-13/h1-5,10,12H,6-9,11H2,(H2,18,19)
InChIKeyWWYINDCVGGYJDK-UHFFFAOYSA-N
XLogP2.57
TPSA58.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.57
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'}

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Related Compounds

4-(4-chlorophenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111048884
4-(4-chlorophenyl)-N'-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111068344
4-(4-chlorophenyl)-N'-[[3-(oxan-4-yloxymethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111808590
4-(4-chlorophenyl)-N'-[[4-(methylsulfamoyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111046455
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 111070192
4-(4-chlorophenyl)-N'-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboximidamide
CID 111087001
4-(4-chlorophenyl)-N'-[(3-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111064965
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide
CID 111032106
4-(4-chlorophenyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111809309
N'-but-3-ynyl-4-(4-chlorophenyl)piperazine-1-carboximidamide
CID 119147787
4-(4-chlorophenyl)-N'-(2-hydroxypropyl)piperazine-1-carboximidamide;hydroiodide
CID 111025315

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide (CID 119118862) is 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide is N/C(=N\Cc1ccoc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
The InChIKey is WWYINDCVGGYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c17-14-1-3-15(4-2-14)20-6-8-21(9-7-20)16(18)19-11-13-5-10-22-12-13/h1-5,10,12H,6-9,11H2,(H2,18,19).
What are the key properties of 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide?
4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide has a molecular weight of 318.81 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-(furan-3-ylmethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 119118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).