General Information of the Compound
Compound ID
CP0360682
Compound Name
2-phenoxy-3-(piperidin-4-yl)pyridine
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Synonyms
2-phenoxy-3-(piperidin-4-yl)pyridine
CHEMBL608148
SCHEMBL4013368
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Structure
Formula
C16H18N2O
Molecular Weight
254.333
Canonical SMILES
C1CC(CCN1)c1cccnc1Oc1ccccc1
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InChI
InChI=1S/C16H18N2O/c1-2-5-14(6-3-1)19-16-15(7-4-10-18-16)13-8-11-17-12-9-13/h1-7,10,13,17H,8-9,11-12H2
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InChIKey
LKVOLTSPLLAMPJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3409
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 44133490
ChEMBL ID
CHEMBL608148
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: 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 = 4310 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 = 2440 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 = 1890 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-phenoxy-3-(piperidin-4-yl)pyridine )
Drug Name 2-phenoxy-3-(piperidin-4-yl)pyridine
Target(s)
Serotonin transporter (SERT)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
Dopamine transporter (DAT)
Inhibitor
Norepinephrine transporter (NET)
Inhibitor