Molecular Details
DICL_CP_0313851
- 1-(3-phenylpropyl)piperidin-4-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313851
PubChem CID
Molecular Formula
C14H21NO Molecular Weight
219.328 g/mol
Synonyms/Alias
[CHEMBL2205333; 1-(3-Phenylpropyl)-4-piperidinol; SCHEMBL7983946; DTXSID201302756; BDBM50401658; AKOS009078151; 1226163-73-0; Z204702930]
InChI Key
DQMITGUZEYCJIU-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO/c16-14-8-11-15(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
IUPAC Name
1-(3-phenylpropyl)piperidin-4-ol
CAS Number
53179-11-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
37 38 0 0 0 0 0 0 0 0999 V2000
-3.4971 -1.0459 0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2539 -1.2656 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 -0.039...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: >100000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
L-929 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
4
logP
2.0759
Complexity
66.4438
TPSA (Ų)
23.47
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2