General Information of the Compound
Compound ID
CP0532840
Compound Name
1-(9-piperidin-1-ylnonyl)piperidine
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Structure
Formula
C19H38N2
Molecular Weight
294.527
Canonical SMILES
C(CCCCN1CCCCC1)CCCCN1CCCCC1
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InChI
InChI=1S/C19H38N2/c1(2-4-8-14-20-16-10-6-11-17-20)3-5-9-15-21-18-12-7-13-19-21/h1-19H2
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InChIKey
SYJLKORWRZYKOO-UHFFFAOYSA-N
Physicochemical Property
logP
4.6889
Rotatable Bonds
10
Heavy Atom Count
21
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 11500302
SID: 16602237
ChEMBL ID
CHEMBL458723
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
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 4.467 nM
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