| CAS Number | 2060052-38-0 |
| Catalog Number | AG01BXDC |
| Chemical Name | tert-Butyl 4-ethynyl-2-methylpiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-ethynyl-2-methylpiperidine-1-carboxylate |
| InChI | InChI=1S/C13H21NO2/c1-6-11-7-8-14(10(2)9-11)12(15)16-13(3,4)5/h1,10-11H,7-9H2,2-5H3 |
| InChI Key | CJVRIMIDHYKFLD-UHFFFAOYSA-N |
| MDL Number | MFCD30478046 |
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| SMILES | CC1N(C(OC(C)(C)C)=O)CCC(C#C)C1 |
| Synonyms | tert-butyl 4-ethynyl-2-methylpiperidine-1-carboxylate,
2060052-38-0,
AKOS034082989,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.316g/mol |
| Monoisotopic Mass | 223.157g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number