General Information of the Compound
Compound ID
CP0514286
Compound Name
2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
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Synonyms
1207671-23-5
2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
AKOS023594147
BDBM50304820
CHEMBL593547
ZINC45354604
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Structure
Formula
C13H19N3
Molecular Weight
217.316
Canonical SMILES
C1CCc2nc(ccc2C1)N1CCNCC1
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InChI
InChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2
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InChIKey
OHJFBSROVXQKFQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.37
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
28.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 46228433
ChEMBL ID
CHEMBL593547
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: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 21 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline )
Drug Name 2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
Target(s)
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor