General Information of the Compound
Compound ID
CP0394677
Compound Name
1-(1,2-diphenylethyl)piperazine
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Synonyms
1-(1,2-diphenylethyl)piperazine
88144-93-8
AKOS010287239
BDBM50188059
CHEMBL214237
CTK3B7060
DTXSID00483036
N-(1,2-diphenylethyl)piperazine
Piperazine, 1-(1,2-diphenylethyl)-
SCHEMBL6171525
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Structure
Formula
C18H22N2
Molecular Weight
266.388
Canonical SMILES
C(C(N1CCNCC1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C18H22N2/c1-3-7-16(8-4-1)15-18(17-9-5-2-6-10-17)20-13-11-19-12-14-20/h1-10,18-19H,11-15H2
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InChIKey
NIBIYLDNVMUKNB-UHFFFAOYSA-N
Physicochemical Property
logP
2.8756
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
15.27
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: 12263801
ChEMBL ID
CHEMBL214237
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
IC50 > 4000 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
IC50 = 39 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
IC50 = 14 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(1,2-diphenylethyl)piperazine )
Drug Name 1-(1,2-diphenylethyl)piperazine
Target(s)
Norepinephrine transporter (NET)
Inhibitor
Serotonin transporter (SERT)
Inhibitor