Molecular Details
DICL_CP_0308392
- 4-phenylpiperidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308392
PubChem CID
Molecular Formula
C11H15N Molecular Weight
161.248 g/mol
Synonyms/Alias
[4-Phenylpiperidine; 771-99-3; 4-Phenyl-piperidine; Piperidine; 4-phenyl-; 4-Phenyl piperidine; MFCD00006002; CHEMBL20969; 8V8IM567WT; NSC-89743; 4-(phenyl)piperidine; 4-phenypiperdine; 4-phenyl piper...
InChI Key
UTBULQCHEUWJNV-UHFFFAOYSA-N
InChI
InChI=1S/C11H15N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
IUPAC Name
4-phenylpiperidine
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
27 28 0 0 0 0 0 0 0 0999 V2000
1.0591 -0.5143 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6021 -0.5832 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1459 -0.011...
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: 440 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
2.1536
Complexity
51.2867
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2