General Information of the Compound
Compound ID
CP0915715
Compound Name
4-(4-Chlorophenyl)piperidinium chloride
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Structure
Formula
C11H15Cl2N
Molecular Weight
232.154
Canonical SMILES
Cl.Clc1ccc(C2CCNCC2)cc1
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InChI
InChI=1S/C11H14ClN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
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InChIKey
KJZPSLZQMISKHY-UHFFFAOYSA-N
Physicochemical Property
logP
3.2288
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2757843
ChEMBL ID
CHEMBL2011555
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
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   LI
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   TS