| CAS Number | 886767-93-7 |
| Catalog Number | AG00IFC2(AGN-PC-0WCKFH) |
| Chemical Name | tert-Butyl 3-(4-(trifluoromethyl)phenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C16H21F3N2O2/c1-15(2,3)23-14(22)21-9-8-20-13(10-21)11-4-6-12(7-5-11)16(17,18)19/h4-7,13,20H,8-10H2,1-3H3 |
| InChI Key | OFLVGTQESIIGGB-UHFFFAOYSA-N |
| MDL Number | MFCD08686043 |
| Molecular Formula | C16H21F3N2O2 |
| Molecular Weight | 330.3453 |
| SMILES | O=C(N1CC(C2=CC=C(C(F)(F)F)C=C2)NCC1)OC(C)(C)C |
| Synonyms | 886767-93-7,
tert-Butyl 3-(4-(trifluoromethyl)phenyl)piperazine-1-carboxylate,
tert-butyl 3-[4-(trifluoromethyl)phenyl]piperazine-1-carboxylate,
3-(4-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
4-Boc-2-(4-(trifluoromethyl)phenyl)piperazine,
1-N-Boc-3-(4-(trifluoromethyl)phenyl)piperazine,
KS-000007LI,
MFCD08686043,
AKOS025290355,
PB31309,
AK172579,
AS-34737,
CS-0048338,
Q-1718,
3-[4-(Trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester,
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| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.351g/mol |
| Monoisotopic Mass | 330.156g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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