General Information of the Compound
Compound ID
CP0373837
Compound Name
4-(2-fluoro-6-phenoxyphenyl)piperidine
    Show/Hide
Synonyms
4-(2-fluoro-6-phenoxyphenyl)piperidine
CHEMBL574428
    Show/Hide
Structure
Formula
C17H18FNO
Molecular Weight
271.335
Canonical SMILES
Fc1cccc(Oc2ccccc2)c1C1CCNCC1
    Show/Hide
InChI
InChI=1S/C17H18FNO/c18-15-7-4-8-16(20-14-5-2-1-3-6-14)17(15)13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
    Show/Hide
InChIKey
PTVWULKTBHSTNS-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 45483451
ChEMBL ID
CHEMBL574428
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 = 128 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 = 45 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 = 170 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 = 706 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-fluoro-6-phenoxyphenyl)piperidine )
Drug Name 4-(2-fluoro-6-phenoxyphenyl)piperidine
Target(s)
Norepinephrine transporter (NET)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Dopamine transporter (DAT)
Inhibitor