| CAS Number | 1260675-70-4 |
| Catalog Number | AG000R1P(AGN-PC-0WCLLU) |
| Chemical Name | tert-butyl 3-(cyclopropylmethyl)-4-oxopiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(cyclopropylmethyl)-4-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-7-6-12(16)11(9-15)8-10-4-5-10/h10-11H,4-9H2,1-3H3 |
| InChI Key | NWNFYESXEUOWQT-UHFFFAOYSA-N |
| MDL Number | MFCD11848400 |
| Molecular Formula | C14H23NO3 |
| Molecular Weight | 253.3373 |
| SMILES | CC(OC(N1CC(CC2CC2)C(=O)CC1)=O)(C)C |
| Synonyms | 1260675-70-4,
1-Boc-3-cyclopropylmethylpiperidin-4-one,
tert-Butyl 3-(cyclopropylmethyl)-4-oxopiperidine-1-carboxylate,
SC-35326,
1-Boc-3-cyclopropylmethyl-piperidin-4-one,
1-Piperidinecarboxylic acid, 3-(cyclopropylmethyl)-4-oxo-, 1,1-dimethylethyl ester,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.342g/mol |
| Monoisotopic Mass | 253.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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