General Information of the Compound
Compound ID
CP0926771
Compound Name
1-(3,5-dimethoxyphenyl)piperazine
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Structure
Formula
C12H18N2O2
Molecular Weight
222.288
Canonical SMILES
COc1cc(OC)cc(N2CCNCC2)c1
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InChI
InChI=1S/C12H18N2O2/c1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3
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InChIKey
COWMQOCYJSUFSB-UHFFFAOYSA-N
Physicochemical Property
logP
1.1134
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
33.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 2736205
SID: 16521590
ChEMBL ID
CHEMBL2335163
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: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1584.89 nM
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