General Information of the Compound
Compound ID
CP0154869
Compound Name
1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine
    Show/Hide
Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
COc1ccccc1N1CCN(CCc2ccccc2)CC1
    Show/Hide
InChI
InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
    Show/Hide
InChIKey
AMBPIKSQPHQYTQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0599
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3826471
SID: 16951262
ChEMBL ID
CHEMBL27021
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 31.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 91.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 16.6 nM
   TI
   LI
   LO
   TS