1-BOC-4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxane-5-carbonyl)piperidine - CAS 1336874-02-2
Catalog: |
BB061625 |
Product Name: |
1-BOC-4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxane-5-carbonyl)piperidine |
CAS: |
1336874-02-2 |
Synonyms: |
1-BOC-4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxane-5-carbonyl)piperidine; 4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxane-5-carbonyl)-piperidine-1-carboxylic acid tert-butyl ester; tert-butyl 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carbonyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(2,2-dimethyl-4,6-dioxo-1,3-dioxane-5-carbonyl)piperidine-1-carboxylate |
Description: | 1-BOC-4-(2,2-Dimethyl-4,6-dioxo-[1,3]dioxane-5-carbonyl)piperidine |
Molecular Weight: | 355.38 |
Molecular Formula: | C17H25NO7 |
Canonical SMILES: | CC1(OC(=O)C(C(=O)O1)C(=O)C2CCN(CC2)C(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C17H25NO7/c1-16(2,3)25-15(22)18-8-6-10(7-9-18)12(19)11-13(20)23-17(4,5)24-14(11)21/h10-11H,6-9H2,1-5H3 |
InChI Key: | FLLXQDIQYCBDHG-UHFFFAOYSA-N |
Complexity: | 562 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 355.16310214 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 355.16310214 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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