| CAS Number | 918431-93-3 |
| Catalog Number | AG00GUBM(AGN-PC-07RHIP) |
| Chemical Name | 1-Piperidinecarboxylic acid, 4-cyano-4-fluoro-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate |
| InChI | InChI=1S/C11H17FN2O2/c1-10(2,3)16-9(15)14-6-4-11(12,8-13)5-7-14/h4-7H2,1-3H3 |
| InChI Key | AWCPTQNVIPVQQQ-UHFFFAOYSA-N |
| MDL Number | MFCD19689456 |
| Molecular Formula | C11H17FN2O2 |
| Molecular Weight | 228.2633 |
| SMILES | FC1(C#N)CCN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate,
918431-93-3,
1-Piperidinecarboxylic acid, 4-cyano-4-fluoro-, 1,1-dimethylethyl ester,
SCHEMBL2887782,
CTK3H7490,
DTXSID10673183,
AWCPTQNVIPVQQQ-UHFFFAOYSA-N,
1-Boc-4-Cyano-4-fluoropiperidine,
CS-D0483,
MFCD19689456,
ZINC90562381,
ACN-039392,
AS-36606,
DA-19384,
AJ-128947,
FT-0733478,
tert-butyl-4-cyano-4-fluoropiperidine-1-carboxylate,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.267g/mol |
| Monoisotopic Mass | 228.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number