General Information of the Compound
Compound ID
CP0200323
Compound Name
1-Phenyl-piperazine
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Synonyms
1-Fenylpiperazin
1-Fenylpiperazin [Czech]
1-PHENYLPIPERAZINE
1-Phenyl-piperazine
1-Phenylpiperazine, 97%
1-phenyl piperazine
1-phenylpiperazinehydrochloride
92-54-6
AI3-26332
BRN 0132157
CCRIS 4334
CHEMBL9434
EINECS 202-165-6
J9225CBI7D
MFCD00005957
N-PHENYLPIPERAZINE HYDROCHLORIDE
N-Phenyldiethylenediamine
N-Phenylpiperazine
N-phenylpiperazin
N-phenylpyperazine
PHENYLPIPERAZINE
Phenylpiperazine
Piperazine, 1-phenyl-
UNII-J9225CBI7D
YZTJYBJCZXZGCT-UHFFFAOYSA-N
n-phenyl piperazine
phenyl piperazine
phenyl-piperazine
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Structure
Formula
C10H14N2
Molecular Weight
162.236
Canonical SMILES
C1CN(CCN1)c1ccccc1
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InChI
InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
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InChIKey
YZTJYBJCZXZGCT-UHFFFAOYSA-N
CAS
123317-04-4
Physicochemical Property
logP
1.0962
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
15.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 7096
SID: 15321760
ChEMBL ID
CHEMBL9434
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 = 1348.96 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PHENYLPIPERAZINE )
Drug Name PHENYLPIPERAZINE
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor