General Information of the Compound
Compound ID
CP0067906
Compound Name
1-(2-pyridyl)piperazine
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Synonyms
1-(pyridin-2-yl)piperazine
1-Pyridin-2-yl-piperazine
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Structure
Formula
C9H13N3
Molecular Weight
163.224
Canonical SMILES
C1CN(CCN1)c1ccccn1
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InChI
InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
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InChIKey
GZRKXKUVVPSREJ-UHFFFAOYSA-N
CAS
34803-66-2
Physicochemical Property
logP
0.4912
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
28.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 94459
SID: 15066548
ChEMBL ID
CHEMBL18094
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: PT01943, Phospholipase D1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000385 Calu-1 Homo sapiens (Human)  1
1
IC50 = 3600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(pyridin-2-yl)piperazine )
Drug Name 1-(pyridin-2-yl)piperazine
Target(s)
Phospholipase D1 (PLD1)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor
Adrenergic receptor alpha-1D (ADRA1D)
Inhibitor
Adrenergic receptor alpha-1A (ADRA1A)
Inhibitor
Adrenergic receptor alpha-2B (ADRA2B)
Inhibitor