General Information of the Compound
Compound ID
CP0373802
Compound Name
1-(2-(2-fluorobenzyloxy)phenyl)piperazine
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Synonyms
1-(2-(2-fluorobenzyloxy)phenyl)piperazine
BDBM50299784
CHEMBL575899
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Structure
Formula
C17H19FN2O
Molecular Weight
286.35
Canonical SMILES
Fc1ccccc1COc1ccccc1N1CCNCC1
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InChI
InChI=1S/C17H19FN2O/c18-15-6-2-1-5-14(15)13-21-17-8-4-3-7-16(17)20-11-9-19-10-12-20/h1-8,19H,9-13H2
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InChIKey
XMQIWPUGABPALG-UHFFFAOYSA-N
Physicochemical Property
logP
2.8143
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

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PubChem ID
CID: 45483446
ChEMBL ID
CHEMBL575899
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 31 nM
   TI
   LI
   LO
   TS
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
Ki > 10000 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
Ki = 526 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
Ki = 978 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(2-(2-fluorobenzyloxy)phenyl)piperazine )
Drug Name 1-(2-(2-fluorobenzyloxy)phenyl)piperazine
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor