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54U : Summary
Code ![](/pdbe/static/images/help.png)
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54U
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H16 N2 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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220.268 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2c(N1CCN(C(C)=O)CC1)ccc(c2)O |
SMILES
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CACTVS |
3.385 |
CC(=O)N1CCN(CC1)c2ccc(O)cc2 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
CC(=O)N1CCN(CC1)c2ccc(cc2)O |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)N1CCN(CC1)c2ccc(O)cc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
CC(=O)N1CCN(CC1)c2ccc(cc2)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | 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 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AGVNLFCRZULMKK-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (16 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2015-07-24
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Last modified at ![](/pdbe/static/images/help.png)
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2015-09-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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