Molecular Details
DICL_CP_0308418
- 1-phenylpiperazine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308418
PubChem CID
Molecular Formula
C10H14N2 Molecular Weight
162.236 g/mol
Synonyms/Alias
[1-PHENYLPIPERAZINE; 92-54-6; Phenylpiperazine; N-Phenylpiperazine; Piperazine; 1-phenyl-; 1-Phenyl-piperazine; N-Phenyldiethylenediamine; 4-phenylpiperazine; n-phenyl piperazine; CHEMBL9434; J9225CBI...
InChI Key
YZTJYBJCZXZGCT-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
IUPAC Name
1-phenylpiperazine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 27 0 0 0 0 0 0 0 0999 V2000
-2.5426 0.9860 -0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1677 1.2056 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3790 -0.034...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 430 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.7
Holding Potential
Not specified
Temperature
25 °C
Test Method
Binding assay ([3H] quipazine)
Test Species
Not specified
Binding Information
Binding Site
extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
1
logP
1.0962
Complexity
51.5247
TPSA (Ų)
15.27
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2