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1- (4-Chlorophenyl) piperazine

CAT: 0804-HY-W004758-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W004758-01Size:5 g
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Description
1- (4-Chlorophenyl) piperazine is a chemical intermediate, and can be used for synthesis of D2R ligand[1].
CAS Number
38212-33-8
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.84
Smiles
ClC1=CC=C(N2CCNCC2)C=C1
Molecular Formula
C10H13ClN2
Molecular Weight
196.68
Precautions
H315, H319, H335
References & Citations
[1]Kułaga D, et al Radioligand and computational insight in structure - Activity relationship of saccharin derivatives being ipsapirone and revospirone analogues. Bioorg Med Chem Lett. 2021 Jun 15;42:128028.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(4-Chlorophenyl)piperazine

increases serotonin & decreases 5-hydroxyindoleacetic acid concentration in rat brain 6 hours after administration; RN given refers to parent cpd

CAS Number38212-33-8
PubChem CID97478
IUPAC Name1-(4-chlorophenyl)piperazine
Molecular FormulaC10H13ClN2
Molecular Weight196.67
XLogP1.8
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
C1CN(CCN1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H13ClN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
UNEIHNMKASENIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Chlorophenyl)piperazine
CAS: 38212-33-8
CID: 97478
Formula: C10H13ClN2
MW: 196.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.67
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass196.0767261
Monoisotopic Mass196.0767261
Topological Polar Surface Area15.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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