| CAS Number | 674791-99-2 |
| Catalog Number | AG019DY9(AGN-PC-0TOGU0) |
| Chemical Name | (S)-tert-butyl 4-benzyl-2-isopropylpiperazine-1-carboxylate |
| IUPAC Name | tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate |
| InChI | InChI=1S/C19H30N2O2/c1-15(2)17-14-20(13-16-9-7-6-8-10-16)11-12-21(17)18(22)23-19(3,4)5/h6-10,15,17H,11-14H2,1-5H3/t17-/m1/s1 |
| InChI Key | XFKIFDHXCLAUQA-QGZVFWFLSA-N |
| MDL Number | MFCD26521961 |
| Molecular Formula | C19H30N2O2 |
| Molecular Weight | 318.4537 |
| SMILES | N1([C@H](CN(CC1)CC=2C=CC=CC2)C(C)C)C(=O)OC(C)(C)C |
| Synonyms | 674791-99-2,
(S)-tert-butyl 4-benzyl-2-isopropylpiperazine-1-carboxylate,
MFCD26521961,
AKOS027470337,
CS-0062088,
(S)-tert-butyl4-benzyl-2-isopropylpiperazine-1-carboxylate,
t-Butyl (S)-4-benzyl-2-isopropylpiperazine-1-carboxylate,
tert-Butyl (2S)-4-benzyl-2-isopropyl-piperazine-1-carboxylate,
(2S)-2beta-Isopropyl-4-benzylpiperazine-1-carboxylic acid tert-butyl ester,
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| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.231g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.461g/mol |
| Monoisotopic Mass | 318.231g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number