General Information of the Compound
Compound ID
CP0245025
Compound Name
2-Phenyl-3-piperidin-4-yl-1H-indole
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Synonyms
1H-Indole,2-phenyl-3-(4-piperidinyl)-
2-PHENYL-3-(PIPERIDIN-4-YL)-1H-INDOLE
2-Phenyl-3-(4-piperidinyl)-1H-indole
2-Phenyl-3-piperidin-4-yl-1H-indole
221109-26-8
3-(Piperidin-4-yl)-2-phenyl-1H-indole
AJ-42917
AKOS015898489
AM20030371
ANW-46494
AX8078102
BDBM50095050
CHEMBL295559
CP-220
CTK4E8621
DTXSID60432328
FT-0707553
FWPAVENSJPMGJO-UHFFFAOYSA-N
KB-231980
P13451
SCHEMBL7962369
ST2404535
TC-135239
W4568
ZINC2580888
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Structure
Formula
C19H20N2
Molecular Weight
276.383
Canonical SMILES
C1CC(CCN1)c1c([nH]c2ccccc12)-c1ccccc1
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InChI
InChI=1S/C19H20N2/c1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2
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InChIKey
FWPAVENSJPMGJO-UHFFFAOYSA-N
Physicochemical Property
logP
4.3019
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
27.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 9882067
SID: 14848593
ChEMBL ID
CHEMBL295559
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 12 nM
   TI
   LI
   LO
   TS
2
Ki = 12.1 nM
   TI
   LI
   LO
   TS
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 = 400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 5700 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5700 nM
Clinical Information about the Compound
Drug 1 ( 2-Phenyl-3-piperidin-4-yl-1H-indole )
Drug Name 2-Phenyl-3-piperidin-4-yl-1H-indole
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
Voltage-gated potassium channel Kv11.1 (KCNH2)
Inhibitor