[3H]4NMPB   Click here for help

GtoPdb Ligand ID: 352

Synonyms: [3H](1-methyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate | [3H]1-Methyl-4-piperidyl diphenylglycolate | [3H]enpiperate
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: The position of the tritiated hydrogen is not specified in the available literature, therefore is not shown in the structure here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 49.77
Molecular weight 325.17
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O
Isomeric SMILES CN1CCC(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O
InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
InChI Key UGYPGJCVNPPUPE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1-methylpiperidin-4-yl) 2-hydroxy-2,2-di(phenyl)acetate
Synonyms Click here for help
[3H](1-methyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate | [3H]1-Methyl-4-piperidyl diphenylglycolate | [3H]enpiperate
Database Links Click here for help
GtoPdb PubChem SID 135651126
PubChem CID 77157
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