1-Boc-4-(4-chloro-2-fluorophenyl)piperazine - CAS 945422-81-1
Catalog: |
BB041414 |
Product Name: |
1-Boc-4-(4-chloro-2-fluorophenyl)piperazine |
CAS: |
945422-81-1 |
Synonyms: |
4-(4-chloro-2-fluorophenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(4-chloro-2-fluorophenyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-chloro-2-fluorophenyl)piperazine-1-carboxylate |
Description: | 1-Boc-4-(4-chloro-2-fluorophenyl)piperazine (CAS# 945422-81-1 ) is a useful research chemical. |
Molecular Weight: | 314.78 |
Molecular Formula: | C15H20ClFN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)F |
InChI: | InChI=1S/C15H20ClFN2O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)13-5-4-11(16)10-12(13)17/h4-5,10H,6-9H2,1-3H3 |
InChI Key: | GNUHDAKKEDREMW-UHFFFAOYSA-N |
LogP: | 3.53910 |
Publication Number | Title | Priority Date |
WO-2020210630-A1 | Tricyclic degraders of ikaros and aiolos | 20190412 |
US-2019248764-A1 | Piperazine derivatives as trpml modulators | 20160629 |
US-10851084-B2 | Piperazine derivatives as TRPML modulators | 20160629 |
BR-PI0706401-A2 | compound or a pharmaceutically acceptable salt or solvate thereof, pharmaceutical composition, use of a compound, and method for treating or preventing neurological and psychiatric disorders associated with glutamate dysfunction in an animal | 20060117 |
CA-2636931-A1 | Piperazines and piperidines as mglur5 potentiators | 20060117 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.1197337 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.1197337 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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