| CAS Number | 2031268-74-1 |
| Catalog Number | AG01B5LE |
| Chemical Name | tert-butyl N-{[4-(trifluoromethyl)piperidin-3-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate |
| InChI | InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-7-8-6-16-5-4-9(8)12(13,14)15/h8-9,16H,4-7H2,1-3H3,(H,17,18) |
| InChI Key | QYQCZITWJGCWFA-UHFFFAOYSA-N |
| MDL Number | MFCD30344732 |
| Molecular Formula | C12H21F3N2O2 |
| Molecular Weight | 282.3025 |
| SMILES | CC(OC(NCC1C(C(F)(F)F)CCNC1)=O)(C)C |
| Synonyms | tert-butyl N-{[4-(trifluoromethyl)piperidin-3-yl]methyl}carbamate,
2031268-74-1,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.307g/mol |
| Monoisotopic Mass | 282.156g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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