(R)-1-Boc-3-ethynylpiperidine - CAS 287192-99-8
Catalog: |
BB019926 |
Product Name: |
(R)-1-Boc-3-ethynylpiperidine |
CAS: |
287192-99-8 |
Synonyms: |
(3R)-3-ethynyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-ethynylpiperidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R)-3-ethynylpiperidine-1-carboxylate |
Description: | (R)-1-Boc-3-ethynylpiperidine (CAS# 287192-99-8 ) is a useful research chemical. |
Molecular Weight: | 209.28 |
Molecular Formula: | C12H19NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(C1)C#C |
InChI: | InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3/t10-/m0/s1 |
InChI Key: | IJHRDEPFBAXIMW-JTQLQIEISA-N |
LogP: | 2.20460 |
Publication Number | Title | Priority Date |
EP-1147093-B1 | Substituted bicyclic derivatives useful as anticancer agents | 19990127 |
US-2001034351-A1 | Substituted bicyclic derivatives useful as anticancer agents | 19990127 |
US-2003186995-A1 | Substituted bicyclic derivatives useful as anticancer agents | 19990127 |
US-6284764-B1 | Substituted bicyclic derivatives useful as anticancer agents | 19990127 |
US-6541481-B2 | Substituted bicyclic derivatives useful as anticancer agents | 19990127 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.141578849 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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