General Information of the Compound
Compound ID
CP0415745
Compound Name
1-(4-p-Tolyl-butyl)-piperidine
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Synonyms
1-(4-p-Tolyl-butyl)-piperidine
CHEMBL571073
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Structure
Formula
C16H25N
Molecular Weight
231.383
Canonical SMILES
Cc1ccc(CCCCN2CCCCC2)cc1
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InChI
InChI=1S/C16H25N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h8-11H,2-7,12-14H2,1H3
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InChIKey
ZJZNOPQUDXUEDU-UHFFFAOYSA-N
Physicochemical Property
logP
3.80362
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 45485498
ChEMBL ID
CHEMBL571073
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(4-p-Tolyl-butyl)-piperidine )
Drug Name 1-(4-p-Tolyl-butyl)-piperidine
Target(s)
Histamine H1 receptor (H1R)
Inhibitor
Voltage-gated potassium channel Kv11.1 (KCNH2)
Inhibitor