| CAS Number | 169447-85-2 |
| Catalog Number | AG01DFV3(AGN-PC-0Q9H0C) |
| Chemical Name | 1,1-Dimethylethyl (2S)-2,4-bis(phenylmethyl)-1-piperazinecarboxylate |
| IUPAC Name | tert-butyl (2S)-2,4-dibenzylpiperazine-1-carboxylate |
| InChI | InChI=1S/C23H30N2O2/c1-23(2,3)27-22(26)25-15-14-24(17-20-12-8-5-9-13-20)18-21(25)16-19-10-6-4-7-11-19/h4-13,21H,14-18H2,1-3H3/t21-/m0/s1 |
| InChI Key | WEZYFYMYMKUAHY-NRFANRHFSA-N |
| MDL Number | MFCD13248830 |
| Molecular Formula | C23H30N2O2 |
| Molecular Weight | 366.4965 |
| SMILES | O=C(N1CCN(C[C@@H]1Cc1ccccc1)Cc1ccccc1)OC(C)(C)C |
| Synonyms | (S)-tert-Butyl 2,4-dibenzylpiperazine-1-carboxylate,
169447-85-2,
SCHEMBL8448438,
WEZYFYMYMKUAHY-NRFANRHFSA-N,
481038-74-8,
ZINC40456575,
CS-0062089,
1-tert-Butoxycarbonyl-2(S),4-dibenzylpiperazine,
tert-butyl (2S)-2,4-dibenzylpiperazine-1-carboxylate,
1-Piperazinecarboxylic acid, 2,4-bis(phenylmethyl)-, 1,1-dimethylethylester, (2R)-,
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| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.505g/mol |
| Monoisotopic Mass | 366.231g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number