General Information of the Compound
Compound ID
CP0439217
Compound Name
4-(2-phenoxyphenyl)piperidine
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Synonyms
4-(2-phenoxyphenyl)piperidine
CHEMBL575077
SCHEMBL4699769
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Structure
Formula
C17H19NO
Molecular Weight
253.345
Canonical SMILES
C1CC(CCN1)c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C17H19NO/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)14-10-12-18-13-11-14/h1-9,14,18H,10-13H2
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InChIKey
YWIYMDPWBAXEKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9459
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 23113096
ChEMBL ID
CHEMBL575077
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 = 63 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 = 284 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 = 416 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 = 1760 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-phenoxyphenyl)piperidine )
Drug Name 4-(2-phenoxyphenyl)piperidine
Target(s)
Norepinephrine transporter (NET)
Inhibitor
Dopamine transporter (DAT)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
Serotonin transporter (SERT)
Inhibitor