N-Boc-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidine - CAS 1159982-26-9
Catalog: |
BB072467 |
Product Name: |
N-Boc-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidine |
CAS: |
1159982-26-9 |
Synonyms: |
tert-butyl 3-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate; N-Boc-3-(1-cyano-2-ethoxy-2-oxoethylidene)-1-piperidine; tert-butyl (3E)-3-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl (3E)-3-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate |
Molecular Weight: | 294.35 |
Molecular Formula: | C15H22N2O4 |
Canonical SMILES: | CCOC(=O)C(=C1CCCN(C1)C(=O)OC(C)(C)C)C#N |
InChI: | InChI=1S/C15H22N2O4/c1-5-20-13(18)12(9-16)11-7-6-8-17(10-11)14(19)21-15(2,3)4/h5-8,10H2,1-4H3/b12-11+ |
InChI Key: | HDGFQSUHMIJEHB-VAWYXSNFSA-N |
Complexity: | 494 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 294.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.15795719 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 79.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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