| CAS Number | 370864-73-6 |
| Catalog Number | AG01DTTI(AGN-PC-0CVDQR) |
| Chemical Name | tert-Butyl 4-(3-cyanophenyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(3-cyanophenyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)19-9-7-14(8-10-19)15-6-4-5-13(11-15)12-18/h4-6,11,14H,7-10H2,1-3H3 |
| InChI Key | SNWFMDUMSYVCMB-UHFFFAOYSA-N |
| MDL Number | MFCD24469977 |
| Molecular Formula | C17H22N2O2 |
| Molecular Weight | 286.3688 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)c1cccc(c1)C#N |
| Synonyms | tert-butyl 4-(3-cyanophenyl)piperidine-1-carboxylate,
370864-73-6,
SCHEMBL3163972,
SNWFMDUMSYVCMB-UHFFFAOYSA-N,
ZINC75907461,
DA-06369,
FT-0767366,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.375g/mol |
| Monoisotopic Mass | 286.168g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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