| CAS Number | 194668-38-7 |
| Catalog Number | AG00I32J(AGN-PC-0QN2YF) |
| Chemical Name | Tert-butyl 4-(5-cyanopyridin-2-yloxy)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-cyanopyridin-2-yl)oxypiperidine-1-carboxylate |
| InChI | InChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)19-8-6-13(7-9-19)21-14-5-4-12(10-17)11-18-14/h4-5,11,13H,6-9H2,1-3H3 |
| InChI Key | OUFLLMBRVSEWQK-UHFFFAOYSA-N |
| MDL Number | MFCD08692372 |
| Molecular Formula | C16H21N3O3 |
| Molecular Weight | 303.3562 |
| SMILES | N#Cc1ccc(nc1)OC1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 194668-38-7,
TERT-BUTYL 4-(5-CYANOPYRIDIN-2-YLOXY)PIPERIDINE-1-CARBOXYLATE,
tert-Butyl 4-((5-cyanopyridin-2-yl)oxy)piperidine-1-carboxylate,
SCHEMBL2776233,
OUFLLMBRVSEWQK-UHFFFAOYSA-N,
AB3369,
MFCD08692372,
ZINC78321515,
1-(t-butyloxycarbonyl),4-(5-cyano,2-pyridyloxy)piperidine,
1-(t-butyloxycarbonyl),4-(5-cyano,2-pyridinyloxy)piperidine,
t-butyl 4-[(5-cyanopyridin-2-yl)oxy]piperidine-1-carboxylate,
4-(5-Cyano-pyridin-2-yloxy)-piperidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.362g/mol |
| Monoisotopic Mass | 303.158g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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