1-Boc-4-(3-Nitrobenzyl)piperazine - CAS 203047-33-0
Catalog: |
BB015786 |
Product Name: |
1-Boc-4-(3-Nitrobenzyl)piperazine |
CAS: |
203047-33-0 |
Synonyms: |
4-[(3-nitrophenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[(3-nitrophenyl)methyl]piperazine-1-carboxylate |
Description: | 1-Boc-4-(3-Nitrobenzyl)piperazine (CAS# 203047-33-0) is a useful research chemical. |
Molecular Weight: | 321.37 |
Molecular Formula: | C16H23N3O4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-9-7-17(8-10-18)12-13-5-4-6-14(11-13)19(21)22/h4-6,11H,7-10,12H2,1-3H3 |
InChI Key: | HWTWAJBOXCYPAM-UHFFFAOYSA-N |
Boiling Point: | 434.5 °C at 760 mmHg |
Density: | 1.208 g/cm3 |
MDL: | MFCD06797469 |
LogP: | 3.04650 |
Publication Number | Title | Priority Date |
AU-2016299484-A1 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
AU-2016299484-B2 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
CA-2993929-A1 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
EP-3328843-A1 | 1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20150727 |
KR-101799007-B1 | 1,3,4-Oxadiazole Sulfonamide Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 20150727 |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.16885622 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.16885622 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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