2-MPP   Click here for help

GtoPdb Ligand ID: 280

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 24.5
Molecular weight 192.13
XLogP 1.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCNCC1
Isomeric SMILES COc1ccccc1N1CCNCC1
InChI InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key VNZLQLYBRIOLFZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2-Methoxyphenyl)piperazine
Database Links Click here for help
BindingDB Ligand 50001862
CAS Registry No. 5464-78-8 (source: NCI)
ChEBI CHEBI:105925
ChEMBL Ligand CHEMBL9666
GtoPdb PubChem SID 135649708
PubChem CID 1346
Search Google for chemical match using the InChIKey VNZLQLYBRIOLFZ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey VNZLQLYBRIOLFZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VNZLQLYBRIOLFZ
Wikipedia MPTP