1-Boc-4-(4-bromo-1-pyrazolyl)piperidine - CAS 877399-50-3
Catalog: |
BB038618 |
Product Name: |
1-Boc-4-(4-bromo-1-pyrazolyl)piperidine |
CAS: |
877399-50-3 |
Synonyms: |
4-(4-bromo-1-pyrazolyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4-bromopyrazol-1-yl)piperidine-1-carboxylate |
Description: | 1-Boc-4-(4-bromo-1-pyrazolyl)piperidine (CAS# 877399-50-3) is a useful research chemical. |
Molecular Weight: | 330.22 |
Molecular Formula: | C13H20BrN3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C=N2)Br |
InChI: | InChI=1S/C13H20BrN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3 |
InChI Key: | IYNZAVDBHAQODX-UHFFFAOYSA-N |
Boiling Point: | 411.482 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD09831980 |
LogP: | 3.15550 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110950839-A | Preparation method of 4- (4-halo-1H-pyrazol-1-yl) piperidine-1-carboxylic acid tert-butyl ester | 20191217 |
WO-2021087181-A1 | Substituted pyrazole compounds as toll receptor inhibitors | 20191101 |
WO-2021053495-A1 | Bifunctional degraders and their methods of use | 20190916 |
WO-2020210630-A1 | Tricyclic degraders of ikaros and aiolos | 20190412 |
CN-108341802-B | Synthesis method of antineoplastic drug crizotinib | 20180416 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.07389 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.07389 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Piperidines
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