General Information of the Compound
Compound ID
CP0110239
Compound Name
4-(1H-imidazol-4-ylmethyl)piperidine
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Synonyms
151070-83-6
4-((1H-imidazol-4-yl)methyl)piperidine
4-(1H-Imidazol-4-ylmethyl)-piperidine
4-(1H-Imidazol-4-ylmethyl)piperidine
4-(1H-imidazol-5-ylmethyl)piperidine
4-(3H-imidazol-4-ylmethyl)piperidine
4-IMP
AC1MI02O
ACMC-20n643
AKOS006273473
AKOS015964158
BDBM22542
BDBM50150945
CC-16184
CHEBI:81390
CHEMBL18661
CTK4C6867
DTXSID10164703
FCH842654
GTPL1251
Immepip
Immepip, Dihydrobromide
KB-33506
NCGC00024883-01
NCGC00024883-02
Piperidine,4-(1H-imidazol-5-ylmethyl)-
SCHEMBL3338054
Tocris-0932
ZINC5777
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Structure
Formula
C9H15N3
Molecular Weight
165.24
Canonical SMILES
C(C1CCNCC1)c1cnc[nH]1
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InChI
InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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InChIKey
MCNGUYXRBCIGOV-UHFFFAOYSA-N
CAS
151070-83-6
Physicochemical Property
logP
0.9518
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 3035842
SID: 136949843
ChEMBL ID
CHEMBL18661
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: PT01357, Histamine H2 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki < 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01194, Histamine H3 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  5
1
EC50 = 0.03981 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 0.1259 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
EC50 = 0.1318 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
Ki = 0.4786 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
5
Ki = 0.5012 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.67 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
EC50 = 0.67 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 0.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 0.4074 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 0.5012 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  4
1
EC50 = 15.85 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 56.23 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
Ki = 19.95 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
4
Ki = 21.88 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 19.95 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 19.95 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 22 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Immepip )
Drug Name Immepip
Target(s)
Histamine H3 receptor (H3R)
 Target Info 
Agonist