General Information of the Compound
Compound ID
CP0238957
Compound Name
1-[2-(4-methoxyphenyl)phenyl]piperazine
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Structure
Formula
C17H20N2O
Molecular Weight
268.36
Canonical SMILES
COc1ccc(cc1)-c1ccccc1N1CCNCC1
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InChI
InChI=1S/C17H20N2O/c1-20-15-8-6-14(7-9-15)16-4-2-3-5-17(16)19-12-10-18-11-13-19/h2-9,18H,10-13H2,1H3
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InChIKey
GJCDKKZASRZMHC-UHFFFAOYSA-N
Physicochemical Property
logP
2.7718
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
24.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 22001618
SID: 144202422
ChEMBL ID
CHEMBL2164336
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 438 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.6 nM