General Information of the Compound
Compound ID
CP0446507
Compound Name
1-(1,4-diphenylbutan-2-yl)piperazine
    Show/Hide
Synonyms
1-(1,4-diphenylbutan-2-yl)piperazine
CHEMBL384687
    Show/Hide
Structure
Formula
C20H26N2
Molecular Weight
294.442
Canonical SMILES
C(Cc1ccccc1)C(Cc1ccccc1)N1CCNCC1
    Show/Hide
InChI
InChI=1S/C20H26N2/c1-3-7-18(8-4-1)11-12-20(22-15-13-21-14-16-22)17-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
    Show/Hide
InChIKey
OGFNNMZMCOBWPR-UHFFFAOYSA-N
Physicochemical Property
logP
3.1357
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
15.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 44414856
ChEMBL ID
CHEMBL384687
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: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(1,4-diphenylbutan-2-yl)piperazine )
Drug Name 1-(1,4-diphenylbutan-2-yl)piperazine
Target(s)
Dopamine transporter (DAT)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor