General Information of the Compound
Compound ID
CP0373835
Compound Name
1-(2-(benzyloxy)phenyl)piperazine
    Show/Hide
Synonyms
1-(2-(benzyloxy)phenyl)piperazine
1-(2-Benzyloxy-phenyl)-piperazine
1-(2-benzyloxyphenyl)piperazine
1-[2-(benzyloxy)phenyl]piperazine
9395AH
96221-84-0
AB19552
AJ-37911
AKOS010941582
AX8291986
BBV-33344054
BDBM50299797
CHEMBL582928
CTK7D1689
DA-00144
FT-0752442
KB-212806
SCHEMBL4673484
Z-7800
ZINC2527252
    Show/Hide
Structure
Formula
C17H20N2O
Molecular Weight
268.36
Canonical SMILES
C(Oc1ccccc1N1CCNCC1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C17H20N2O/c1-2-6-15(7-3-1)14-20-17-9-5-4-8-16(17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
    Show/Hide
InChIKey
PPQUPQGZDGZYJI-UHFFFAOYSA-N
Physicochemical Property
logP
2.6752
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 22615724
ChEMBL ID
CHEMBL582928
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: PT00819, 5-hydroxytryptamine receptor 1A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 > 10000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 28 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 5210 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki > 8720 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 83 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 168 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 2930 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 1140 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(2-(benzyloxy)phenyl)piperazine )
Drug Name 1-(2-(benzyloxy)phenyl)piperazine
Target(s)
Norepinephrine transporter (NET)
 Target Info 
Inhibitor
Serotonin transporter (SERT)
 Target Info 
Inhibitor
5-HT 1A receptor (HTR1A)
 Target Info 
Inhibitor