General Information of the Compound
Compound ID
CP0401448
Compound Name
4-(2-(3-fluorophenoxy)phenyl)piperidine
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Synonyms
4-(2-(3-fluorophenoxy)phenyl)piperidine
CHEMBL583752
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Structure
Formula
C17H18FNO
Molecular Weight
271.335
Canonical SMILES
Fc1cccc(Oc2ccccc2C2CCNCC2)c1
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InChI
InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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InChIKey
WLJMFBUPVRQPDQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.085
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 45375937
SID: 93367359
ChEMBL ID
CHEMBL583752
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 219 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 11 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)  2
1
EC50 = 657 nM
   TI
   LI
   LO
   TS
2
Ki = 166 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)  2
1
EC50 = 21 nM
   TI
   LI
   LO
   TS
2
Ki = 11 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)  2
1
EC50 = 1020 nM
   TI
   LI
   LO
   TS
2
Ki = 901 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(3-fluorophenoxy)phenyl)piperidine )
Drug Name 4-(2-(3-fluorophenoxy)phenyl)piperidine
Target(s)
Norepinephrine transporter (NET)
Inhibitor
Dopamine transporter (DAT)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
Serotonin transporter (SERT)
Inhibitor