1-(3-Chlorophenyl)-4-(2-phenylethyl)piperazine , CAS No.147429-37-6

CAS: 147429-37-6 Cat. No.: C668742 Molecular Weight: 300.8
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Synonyms
3LEH2E7AEU | 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine | 1-(3-chlorophenyl)-4-phenethylpiperazine | UNII-3LEH2E7AEU | Piperazine, 1-(3-chlorophenyl)-4-(2-phenylethyl)- | Oprea1_478370 | DTXSID501032720 | BDBM50007404 | 1-(3-Chloro-phenyl)-4-phenethyl
Storage
Room temperature
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Size
Status
Price
Qty
1mg
C668742-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
C668742-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3LEH2E7AEU | 1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine | 1-(3-chlorophenyl)-4-phenethylpiperazine | UNII-3LEH2E7AEU | Piperazine, 1-(3-chlorophenyl)-4-(2-phenylethyl)- | Oprea1_478370 | DTXSID501032720 | BDBM50007404 | 1-(3-Chloro-phenyl)-4-phenethyl
Storage
Room temperature
Product Properties
ALogP4.4
Names and Identifiers
Canonical SmilesC1CN(CCN1CCC2=CC=CC=C2)C3=CC(=CC=C3)Cl
IUPAC Name1-(3-chlorophenyl)-4-(2-phenylethyl)piperazine
InChIKeyNKMGWZZAFWDLFG-UHFFFAOYSA-N
INCHI1S/C18H21ClN2/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
Isomeric SMILES C1CN(CCN1CCC2=CC=CC=C2)C3=CC(=CC=C3)Cl
Molecular Weight 300.8
Reaxy-Rn 4908925
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4908925&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperazines
Alternative Parents N-arylpiperazines  Phenethylamines  Dialkylarylamines  Aniline and substituted anilines  N-alkylpiperazines  Chlorobenzenes  Aralkylamines  Aryl chlorides  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - Phenethylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Sigmar1 Sigma opioid receptor (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight300.800 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass300.139 Da
Monoisotopic Mass300.139 Da
Topological Polar Surface Area6.500 Ų
Heavy Atom Count21
Formal Charge0
Complexity296.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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