General Information of the Compound
Compound ID
CP0194931
Compound Name
1-(2-phenylphenyl)piperazine
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Structure
Formula
C16H18N2
Molecular Weight
238.334
Canonical SMILES
C1CN(CCN1)c1ccccc1-c1ccccc1
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InChI
InChI=1S/C16H18N2/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
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InChIKey
RKRVRTJVCWZOQS-UHFFFAOYSA-N
Physicochemical Property
logP
2.7632
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
15.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 2737389
SID: 15839350
ChEMBL ID
CHEMBL494675
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 = 531 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.4 nM