General Information of the Compound
Compound ID
CP0684017
Compound Name
3-((1H-imidazol-5-yl)methyl)piperidine
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Structure
Formula
C9H15N3
Molecular Weight
165.24
Canonical SMILES
c1nc(CC2CCCNC2)c[nH]1
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InChI
InChI=1S/C9H15N3/c1-2-8(5-10-3-1)4-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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InChIKey
KPAJJCMZSUJZLQ-UHFFFAOYSA-N
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: 16078981
ChEMBL ID
CHEMBL151467
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)  2
1
EC50 = 48.98 nM
   TI
   LI
   LO
   TS
2
Ki = 67.61 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 = 3981.07 nM
   TI
   LI
   LO
   TS