54U

1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone

Created:	2015-07-24
Last modified:	2015-09-09

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1 entries where 54U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of 54U

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Chemical Component Summary
Name	1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
Systematic Name (OpenEye OEToolkits)	1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
Formula	C₁₂ H₁₆ N₂ O₂
Molecular Weight	220.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(N1CCN(C(C)=O)CC1)ccc(c2)O
SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)c2ccc(O)cc2
SMILES	OpenEye OEToolkits	1.9.2	CC(=O)N1CCN(CC1)c2ccc(cc2)O
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)c2ccc(O)cc2
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC(=O)N1CCN(CC1)c2ccc(cc2)O
InChI	InChI	1.03	InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3
InChIKey	InChI	1.03	AGVNLFCRZULMKK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	712441
ChEMBL	CHEMBL202608
CCDC/CSD	MIHWAD
COD	2238798

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