| CAS Number | 616890-33-6 |
| Catalog Number | AG019F03(AGN-PC-0T1CTC) |
| Chemical Name | tert-butyl (2R,3R)-3-hydroxy-2-(prop-2-en-1-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl (2R,3R)-3-hydroxy-2-prop-2-enylpiperidine-1-carboxylate |
| InChI | InChI=1S/C13H23NO3/c1-5-7-10-11(15)8-6-9-14(10)12(16)17-13(2,3)4/h5,10-11,15H,1,6-9H2,2-4H3/t10-,11-/m1/s1 |
| InChI Key | LWRHBPUNAPRDCM-GHMZBOCLSA-N |
| MDL Number | MFCD30471970 |
| Molecular Formula | C13H23NO3 |
| Molecular Weight | 241.3266 |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@@H](O)[C@H]1CC=C |
| Synonyms | CIS-TERT-BUTYL 2-ALLYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE,
616890-33-6,
MFCD30471970,
AKOS030628219,
ZINC215244152,
CS-0036058,
cis-t-Butyl 2-allyl-3-hydroxypiperidine-1-carboxylate,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.331g/mol |
| Monoisotopic Mass | 241.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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