1-Boc-4-hydroxy-4-(trifluoromethyl)piperidine - CAS 550371-74-9
Catalog: |
BB028892 |
Product Name: |
1-Boc-4-hydroxy-4-(trifluoromethyl)piperidine |
CAS: |
550371-74-9 |
Synonyms: |
4-hydroxy-4-(trifluoromethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate |
Description: | 1-Boc-4-hydroxy-4-(trifluoromethyl)piperidine (CAS# 550371-74-9) is a useful research chemical. |
Molecular Weight: | 269.26 |
Molecular Formula: | C11H18F3NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)(C(F)(F)F)O |
InChI: | InChI=1S/C11H18F3NO3/c1-9(2,3)18-8(16)15-6-4-10(17,5-7-15)11(12,13)14/h17H,4-7H2,1-3H3 |
InChI Key: | BPCANPVVCVCTOJ-UHFFFAOYSA-N |
MDL: | MFCD16990768 |
LogP: | 2.24860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018286247-A1 | Syk inhibitor and use method therefor | 20170614 |
CN-110678461-A | Syk inhibitors and methods of use thereof | 20170614 |
EP-3640247-A1 | Syk inhibitor and use method therefor | 20170614 |
US-2020199101-A1 | Syk inhibitor and use method therefor | 20170614 |
WO-2018228475-A1 | Syk inhibitor and use method therefor | 20170614 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.12387792 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.12387792 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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