WNY

1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

Created:	2020-10-30
Last modified:	2020-11-11

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3 entries where WNY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of WNY

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Chemical Component Summary
Name	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
Formula	C₁₂ H₁₅ Cl N₂ O
Molecular Weight	238.713
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl
SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)c2ccc(Cl)cc2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)c2ccc(cc2)Cl
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)c2ccc(Cl)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)c2ccc(cc2)Cl
InChI	InChI	1.03	InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKey	InChI	1.03	UVYFWYMZWQBGAQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	258327

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.