| CAS Number | 721450-38-0 |
| Catalog Number | AG01A6YP |
| Chemical Name | tert-butyl N-(1-cyanopiperidin-4-yl)carbamate |
| IUPAC Name | tert-butyl N-(1-cyanopiperidin-4-yl)carbamate |
| InChI | InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)13-9-4-6-14(8-12)7-5-9/h9H,4-7H2,1-3H3,(H,13,15) |
| InChI Key | LZVWQFNLDLGSRA-UHFFFAOYSA-N |
| MDL Number | MFCD26407630 |
| Molecular Formula | C11H19N3O2 |
| Molecular Weight | 225.2875 |
| SMILES | CC(OC(NC1CCN(C#N)CC1)=O)(C)C |
| Synonyms | tert-butyl N-(1-cyanopiperidin-4-yl)carbamate,
721450-38-0,
SCHEMBL458321,
(1-cyanopiperidin-4-yl)carbamic acid tert-butyl ester,
ZINC95829573,
AKOS033550751,
FCH3058607,
MCULE-4244451011,
EN300-134960,
Z1695799418,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.292g/mol |
| Monoisotopic Mass | 225.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number