Molecular Details
DICL_CP_0310777
- 1-(2-phenylethyl)piperidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310777
PubChem CID
Molecular Formula
C13H19N Molecular Weight
189.302 g/mol
Synonyms/Alias
[1-Phenethylpiperidine; 6949-43-5; 1-(2-Phenylethyl)piperidine; 332-14-9; Piperidine; 1-(2-phenylethyl)-; 1-phenethyl-piperidine; N-(2-Phenylethyl)piperidine; N-phenethylpiperidine; 1-Piperidino-2-phe...
InChI Key
DBDVAKGHPZJLTH-UHFFFAOYSA-N
InChI
InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
IUPAC Name
1-(2-phenylethyl)piperidine
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
33 34 0 0 0 0 0 0 0 0999 V2000
3.6076 0.4559 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1285 -0.9361 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 -1.147...
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: >700 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Binding assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
3
logP
2.715
Complexity
60.437
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
2