General Information of the Compound
Compound ID
CP0434705
Compound Name
1-(pyridin-4-yl)piperazine
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Synonyms
(4-pyridyl)piperazine
1-(4-Pyridyl)piperazine
1-(4-pyridinyl)piperazine
1-(4-pyridyl) piperazine
1-(4-pyridyl)-piperazine
1-(pyridin-4-yl)piperazine
1-Pyridin-4-yl-piperazine
1-[4-pyridyl]piperazine
1-pyridin-4-ylpiperazine
1008-91-9
4-(1-PIPERAZINYL)PYRIDINE
4-(1-piperazino)pyridine
4-Piperazinopyridine
4-pyridyl piperazine
4-pyridylpiperazine
AC1Q4WUQ
CHEMBL339069
EINECS 213-764-7
MFCD00040745
N-(4-Pyridyl)piperazine
PIPERAZINE, 1-(4-PYRIDINYL)-
PubChem22899
l-(4-pyridyl)piperazine
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Structure
Formula
C9H13N3
Molecular Weight
163.224
Canonical SMILES
C1CN(CCN1)c1ccncc1
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InChI
InChI=1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
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InChIKey
OQZBAQXTXNIPRA-UHFFFAOYSA-N
CAS
1008-91-9
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: 70517
SID: 15898762
ChEMBL ID
CHEMBL339069
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: PT01494, Beta-2 adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Kd = 141600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01943, Phospholipase D1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000385 Calu-1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(pyridin-4-yl)piperazine )
Drug Name 1-(pyridin-4-yl)piperazine
Target(s)
Phospholipase D1 (PLD1)
 Target Info 
Inhibitor