| CAS Number | 252577-86-9 |
| Catalog Number | AG01AAOV |
| Chemical Name | Tert-butyl n-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbamate |
| IUPAC Name | tert-butyl N-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbamate |
| InChI | InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-13-6-8-20(9-7-13)14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3,(H,19,21) |
| InChI Key | FHVJGMSJNPXNSJ-UHFFFAOYSA-N |
| MDL Number | MFCD17480374 |
| Molecular Formula | C16H22N4O2 |
| Molecular Weight | 302.3715 |
| SMILES | O=C(OC(C)(C)C)NC1CCN(C2=NC=C(C#N)C=C2)CC1 |
| Synonyms | tert-butyl N-[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbamate,
252577-86-9,
AC1Q1NCZ,
SCHEMBL7078845,
FHVJGMSJNPXNSJ-UHFFFAOYSA-N,
ZINC52450377,
AKOS034504238,
MCULE-8850471506,
NE20635,
EN300-69198,
Z646254054,
tert-butyl[1-(5-cyanopyridin-2-yl)piperidin-4-yl]carbamate,
tert-butyl (1-(5-cyanopyridin-2-yl)piperidin-4-yl)carbamate,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.378g/mol |
| Monoisotopic Mass | 302.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number