General Information of the Compound
Compound ID
CP0875499
Compound Name
5-(3-(piperidin-1-yl)propoxy)indoline
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Structure
Formula
C16H24N2O
Molecular Weight
260.381
Canonical SMILES
c1cc2c(cc1OCCCN1CCCCC1)CCN2
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InChI
InChI=1S/C16H24N2O/c1-2-9-18(10-3-1)11-4-12-19-15-5-6-16-14(13-15)7-8-17-16/h5-6,13,17H,1-4,7-12H2
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InChIKey
FZNOUKDDPFWMCE-UHFFFAOYSA-N
Physicochemical Property
logP
2.9094
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 11724369
ChEMBL ID
CHEMBL3094129
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
Ki = 15.85 nM
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