General Information of the Compound
Compound ID
CP0373799
Compound Name
4-(2-(4-fluorophenoxy)-4-methylphenyl)piperidine
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Synonyms
4-(2-(4-fluorophenoxy)-4-methylphenyl)piperidine
CHEMBL574347
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Structure
Formula
C18H20FNO
Molecular Weight
285.362
Canonical SMILES
Cc1ccc(C2CCNCC2)c(Oc2ccc(F)cc2)c1
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InChI
InChI=1S/C18H20FNO/c1-13-2-7-17(14-8-10-20-11-9-14)18(12-13)21-16-5-3-15(19)4-6-16/h2-7,12,14,20H,8-11H2,1H3
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InChIKey
MUPPOMFFBLBAKT-UHFFFAOYSA-N
Physicochemical Property
logP
4.39342
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 45483520
ChEMBL ID
CHEMBL574347
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 > 4570 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 = 1680 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 = 115 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 = 427 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(4-fluorophenoxy)-4-methylphenyl)piperidine )
Drug Name 4-(2-(4-fluorophenoxy)-4-methylphenyl)piperidine
Target(s)
Dopamine transporter (DAT)
Inhibitor
Serotonin transporter (SERT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor