| CAS Number | 280115-99-3 |
| Catalog Number | AG01F8BZ(AGN-PC-0WAJ0X) |
| Chemical Name | tert-Butyl 4-(chlorocarbonyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-carbonochloridoylpiperidine-1-carboxylate |
| InChI | InChI=1S/C11H18ClNO3/c1-11(2,3)16-10(15)13-6-4-8(5-7-13)9(12)14/h8H,4-7H2,1-3H3 |
| InChI Key | LUKQTNVNMALRMG-UHFFFAOYSA-N |
| MDL Number | MFCD18089215 |
| Molecular Formula | C11H18ClNO3 |
| Molecular Weight | 247.7185 |
| SMILES | ClC(=O)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 280115-99-3,
tert-Butyl 4-(Chlorocarbonyl)piperidine-1-carboxylate,
tert-butyl 4-(chlorocarbonyl)-piperidine-1-carboxylate,
4-chlorocarbonyl-piperidine-1-carboxylic acid tert-butyl ester,
SCHEMBL1712246,
LUKQTNVNMALRMG-UHFFFAOYSA-N,
ZINC38999269,
1-Boc-piperidin-4-ylcarbonyl chloride,
SC-50341,
tert-Butyl 4-(Chlorocarbonyl)piperidine-1-carboxyl,
1,1-dimethylethyl 4-(chlorocarbonyl)piperidine-1-carboxylate,
4-chlorocarbonylpiperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.719g/mol |
| Monoisotopic Mass | 247.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number