| CAS Number | 1509382-47-1 |
| Catalog Number | AG00IMC0(AGN-PC-0WQUIQ) |
| Chemical Name | 1-Boc-5-Methyl-3-Piperidinone |
| IUPAC Name | tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-8-5-9(13)7-12(6-8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3 |
| InChI Key | PIXOEWQIZRMJQU-UHFFFAOYSA-N |
| MDL Number | MFCD11520579 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | O=C1CN(C(OC(C)(C)C)=O)CC(C)C1 |
| Synonyms | 1-Boc-5-methyl-3-piperidinone,
1509382-47-1,
1601475-89-1,
SCHEMBL19837017,
MFCD11520579,
AKOS023411895,
CS-12740,
SY224178,
MFCD11520579 (95%),
Tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate,
(S)-tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate,
(R)-tert-butyl 3-methyl-5-oxopiperidine-1-carboxylate,
1601475-90-4,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number