General Information of the Compound
Compound ID
CP0224672
Compound Name
1-[5-(4-chlorophenoxy)pentyl]piperidine
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Structure
Formula
C16H24ClNO
Molecular Weight
281.827
Canonical SMILES
Clc1ccc(OCCCCCN2CCCCC2)cc1
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InChI
InChI=1S/C16H24ClNO/c17-15-7-9-16(10-8-15)19-14-6-2-5-13-18-11-3-1-4-12-18/h7-10H,1-6,11-14H2
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InChIKey
CISLNJILBFCUJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.375
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 2843471
SID: 15022094
ChEMBL ID
CHEMBL3747891
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 = 427 nM
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