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- ChemComp-H04: 1-(2-ethoxyphenyl)piperazine -

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Basic information

EntryDatabase: PDB chemical components / ID: H04
NameName: 1-(2-ethoxyphenyl)piperazine

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Chemical information

Composition
Formula: C12H18N2O / Number of atoms: 33 / Formula weight: 206.284 / Formal charge: 0
Others

5qgt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H04 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QGT
History
Create componentJun 8, 2018
Initial releaseMar 27, 2019
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01N1(CCNCC1)c2ccccc2OCC
CACTVS 3.385CCOc1ccccc1N2CCNCC2
OpenEye OEToolkits 2.0.6CCOc1ccccc1N2CCNCC2

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SMILES CANONICAL

CACTVS 3.385CCOc1ccccc1N2CCNCC2
OpenEye OEToolkits 2.0.6CCOc1ccccc1N2CCNCC2

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InChI

InChI 1.03InChI=1S/C12H18N2O/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3

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InChIKey

InChI 1.03FBQIUSDQWOLCNY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(2-ethoxyphenyl)piperazine
OpenEye OEToolkits 2.0.61-(2-ethoxyphenyl)piperazine

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PDB entries

Showing all 5 items

PDB-5qgt:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000609a

PDB-5rhl:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z425387594

PDB-5rll:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z425387594

PDB-7g81:
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z104474512

PDB-7hmd:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z425387594

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