General Information of the Compound
Compound ID
CP0216996
Compound Name
4-[2-(1H-imidazol-5-yl)ethyl]piperidine
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Structure
Formula
C10H17N3
Molecular Weight
179.267
Canonical SMILES
C(Cc1cnc[nH]1)C1CCNCC1
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InChI
InChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13)
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InChIKey
XSOYKCANSOSZRB-UHFFFAOYSA-N
Physicochemical Property
logP
1.3419
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
40.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 10176370
SID: 15171305
ChEMBL ID
CHEMBL150701
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  3
1
EC50 = 12.59 nM
   TI
   LI
   LO
   TS
2
EC50 = 13.18 nM
   TI
   LI
   LO
   TS
3
Ki = 19.95 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
EC50 < 10000 nM
   TI
   LI
   LO
   TS