Methyl 5-(Trifluoromethyl)piperidine-3-carboxylate - CAS 1269755-53-4
Catalog: |
BB006710 |
Product Name: |
Methyl 5-(Trifluoromethyl)piperidine-3-carboxylate |
CAS: |
1269755-53-4 |
Synonyms: |
5-(trifluoromethyl)-3-piperidinecarboxylic acid methyl ester; methyl 5-(trifluoromethyl)piperidine-3-carboxylate |
IUPAC Name: | methyl 5-(trifluoromethyl)piperidine-3-carboxylate |
Description: | Methyl 5-(Trifluoromethyl)piperidine-3-carboxylate (CAS# 1269755-53-4 ) is a useful research chemical. |
Molecular Weight: | 211.18 |
Molecular Formula: | C8H12F3NO2 |
Canonical SMILES: | COC(=O)C1CC(CNC1)C(F)(F)F |
InChI: | InChI=1S/C8H12F3NO2/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11/h5-6,12H,2-4H2,1H3 |
InChI Key: | ZFYKDGRNKLVWMO-UHFFFAOYSA-N |
LogP: | 1.27620 |
Publication Number | Title | Priority Date |
US-2020157092-A1 | [1,2,4]-triazolo [1,5-a]-pyrimidinyl derivatives substituted with piperidine, morpholine or piperazine as oga inhibitors | 20170227 |
AU-2017378186-A1 | Monocyclic OGA inhibitor compounds | 20161216 |
CA-3045957-A1 | Monocyclic oga inhibitor compounds | 20161216 |
EP-3555087-A1 | Monocyclic oga inhibitor compounds | 20161216 |
JP-2020503298-A | Monocyclic OGA inhibitor compounds | 20161216 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.08201311 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.08201311 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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