General Information of the Compound
Compound ID
CP0480911
Compound Name
1-(6-naphthalen-2-yloxyhexyl)piperidine
    Show/Hide
Structure
Formula
C21H29NO
Molecular Weight
311.469
Canonical SMILES
C(CCCN1CCCCC1)CCOc1ccc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C21H29NO/c1(6-14-22-15-7-3-8-16-22)2-9-17-23-21-13-12-19-10-4-5-11-20(19)18-21/h4-5,10-13,18H,1-3,6-9,14-17H2
    Show/Hide
InChIKey
CSGIABKOVFXEPA-UHFFFAOYSA-N
Physicochemical Property
logP
5.2649
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2237924
ChEMBL ID
CHEMBL4128623
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 61.8 nM
   TI
   LI
   LO
   TS