Cas no 204012-86-2 (3-(piperazin-1-ylmethyl)benzo[d]isoxazole)
3-(Piperazin-1-ylmethyl)benzo[d]isoxazole is a heterocyclic compound featuring a benzo[d]isoxazole core substituted with a piperazinylmethyl group. This structure imparts versatility in medicinal chemistry and pharmaceutical research, particularly as a key intermediate in the synthesis of bioactive molecules. The piperazine moiety enhances solubility and binding affinity, making it valuable for drug discovery targeting CNS disorders, antimicrobial agents, or receptor modulators. Its rigid benzo[d]isoxazole scaffold contributes to metabolic stability, while the methylene linker allows for further functionalization. The compound is typically employed in lead optimization due to its balanced physicochemical properties and compatibility with diverse synthetic routes. Proper handling under controlled conditions is recommended due to potential reactivity.
![3-(piperazin-1-ylmethyl)benzo[d]isoxazole structure](https://ossimg.kuujia.com/scimg/204500/204012-86-2x500.png)
204012-86-2 structure
Product Name:3-(piperazin-1-ylmethyl)benzo[d]isoxazole
CAS No:204012-86-2
MF:C12H15N3O
MW:217.267002344131
CID:3893657
PubChem ID:82614492
Update Time:2025-10-29
3-(piperazin-1-ylmethyl)benzo[d]isoxazole Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazole, 3-(1-piperazinylmethyl)-
- 3-(piperazin-1-ylmethyl)benzo[d]isoxazole
- F1967-2421
- 3-(piperazin-1-ylmethyl)-1,2-benzoxazole
- starbld0047132
- 204012-86-2
- AKOS022926632
-
- Inchi： 1S/C12H15N3O/c1-2-4-12-10(3-1)11(14-16-12)9-15-7-5-13-6-8-15/h1-4,13H,5-9H2
- InChI Key： QLNSYORZNCWBHI-UHFFFAOYSA-N
- SMILES： O1C2=C(C=CC=C2)C(CN2CCNCC2)=N1
Computed Properties
- Exact Mass: 217.121512110Da
- Monoisotopic Mass: 217.121512110Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 41.3?2
3-(piperazin-1-ylmethyl)benzo[d]isoxazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | P220356-100mg |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 100mg |
$ 115.00 | 2022-06-03 | ||
| TRC | P220356-500mg |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 500mg |
$ 435.00 | 2022-06-03 | ||
| TRC | P220356-1g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 1g |
$ 660.00 | 2022-06-03 | ||
| Life Chemicals | F1967-2421-0.25g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 95%+ | 0.25g |
$419.0 | 2023-09-06 | |
| Life Chemicals | F1967-2421-0.5g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 95%+ | 0.5g |
$442.0 | 2023-09-06 | |
| Life Chemicals | F1967-2421-1g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 95%+ | 1g |
$466.0 | 2023-09-06 | |
| Life Chemicals | F1967-2421-2.5g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 95%+ | 2.5g |
$932.0 | 2023-09-06 | |
| Life Chemicals | F1967-2421-5g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 95%+ | 5g |
$1398.0 | 2023-09-06 | |
| Life Chemicals | F1967-2421-10g |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole |
204012-86-2 | 95%+ | 10g |
$1957.0 | 2023-09-06 |
3-(piperazin-1-ylmethyl)benzo[d]isoxazole Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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