1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine

Name: 1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine
Brand: ChemScene
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CAS No. 1228780-72-0
Cat. No. CS-W009098
Purity≥97%
MDL No.MFCD28129720

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1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine|CS-W009098

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General Information

CAS No. 1228780-72-0
Cat. No. CS-W009098
Purity ≥97%
MDL No. MFCD28129720
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₂₇ClN₂
Molecular Weight 318.89
Synonym(s) ''1-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1- en-1-yl]methyl}piperazine''
SMILES CC1(C)CCC(CN2CCNCC2)=C(C3=CC=C(Cl)C=C3)C1

Description

This piperazine derivative features a rigid cyclohexenyl core substituted with a chlorophenyl and dimethyl groups, enhancing lipophilicity and metabolic stability. The dihydrochloride salt form improves aqueous solubility and handling, facilitating use in medicinal chemistry workflows requiring precise delivery of the cationic moiety.

Application

1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine dihydrochloride serves as a versatile building block for medicinal chemistry, enabling the construction of complex heterocyclic scaffolds. Its stable cyclohexenyl core and piperazine functionality offer favorable solubility and functional group tolerance, facilitating downstream derivatization in drug discovery workflows. The dihydrochloride salt enhances crystallinity and handling stability, supporting reproducible synthesis and scale-up.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 15.27
LogP 4.2089
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-{[2-(4-Chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazine

CAS No. 1228780-72-0

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