General Information of the Compound
Compound ID
CP0845918
Compound Name
(4-(3-(piperidin-1-yl)propoxy)phenyl)methanol
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Structure
Formula
C15H23NO2
Molecular Weight
249.354
Canonical SMILES
OCc1ccc(OCCCN2CCCCC2)cc1
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InChI
InChI=1S/C15H23NO2/c17-13-14-5-7-15(8-6-14)18-12-4-11-16-9-2-1-3-10-16/h5-8,17H,1-4,9-13H2
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InChIKey
VPESFDVGWJMCNH-UHFFFAOYSA-N
Physicochemical Property
logP
2.4337
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 27160619
SID: 163682558
ChEMBL ID
CHEMBL2375589
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 = 22.7 nM
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