| CAS Number | 1334415-27-8 |
| Catalog Number | AG00HSX2(AGN-PC-0WQZ53) |
| Chemical Name | tert-Butyl 4-[(pyridin-4-yl)carbonyl]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(pyridine-4-carbonyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-6-13(7-11-18)14(19)12-4-8-17-9-5-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3 |
| InChI Key | WLTDRFFLUASWBG-UHFFFAOYSA-N |
| MDL Number | MFCD20261418 |
| Molecular Formula | C16H22N2O3 |
| Molecular Weight | 290.3575 |
| SMILES | N1=CC=C(C=C1)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 4-[(pyridin-4-yl)carbonyl]piperidine-1-carboxylate,
1334415-27-8,
SCHEMBL18228469,
KM3546,
ZINC95494744,
Y2993,
TERT-BUTYL 4-(PYRIDINE-4-CARBONYL)PIPERIDINE-1-CARBOXYLATE,
C16H22N2O3,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.363g/mol |
| Monoisotopic Mass | 290.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number