General Information of the Compound
Compound ID
CP0400525
Compound Name
4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
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Synonyms
4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
CHEMBL1171443
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Structure
Formula
C15H19N3
Molecular Weight
241.338
Canonical SMILES
C(C1CCN(CC1)c1ccccc1)c1cnc[nH]1
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InChI
InChI=1S/C15H19N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h1-5,11-13H,6-10H2,(H,16,17)
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InChIKey
DKJLGZJEDGFKIC-UHFFFAOYSA-N
Physicochemical Property
logP
2.8688
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 49799252
ChEMBL ID
CHEMBL1171443
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 41 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 30 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine )
Drug Name 4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
Target(s)
Histamine H3 receptor (H3R)
Inhibitor