Molecular Details
DICL_CP_0309696
- 1-methyl-4-pyridin-2-ylpiperazine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309696
PubChem CID
Molecular Formula
C10H15N3 Molecular Weight
177.251 g/mol
Synonyms/Alias
[145208-85-1; 1-methyl-4-(pyridin-2-yl)piperazine; Piperazine; 1-methyl-4-(2-pyridinyl)-; 1-methyl-4-pyridin-2-ylpiperazine; CHEMBL126350; Piperazine; 1-methyl-4-(2-pyridinyl)- (9CI); SCHEMBL159733; D...
InChI Key
MDHKWAZLVNUABG-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N3/c1-12-6-8-13(9-7-12)10-4-2-3-5-11-10/h2-5H,6-9H2,1H3
IUPAC Name
1-methyl-4-pyridin-2-ylpiperazine
CAS Number
188780-39-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 29 0 0 0 0 0 0 0 0999 V2000
3.9222 -0.8091 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4633 -0.9540 0.0457 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9600 -0.097...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A/3B
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 81 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
22 °C
Test Method
Binding assay ([3H] BRL-43694)
Test Species
cerebral cortical
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
1
logP
0.8334
Complexity
53.947
TPSA (Ų)
19.37
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
2