| CAS Number | 1384268-90-9 |
| Catalog Number | AG001946(AGN-PC-0WCYNF) |
| Chemical Name | (R)-1-BOC-4-BENZYL-3-(HYDROXYMETHYL)-5-OXOPIPERAZINE |
| IUPAC Name | tert-butyl (3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate |
| InChI | InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-10-14(12-20)19(15(21)11-18)9-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3/t14-/m1/s1 |
| InChI Key | YOFQVFLXONCCSB-CQSZACIVSA-N |
| MDL Number | MFCD22573663 |
| Molecular Formula | C17H24N2O4 |
| Molecular Weight | 320.3835 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H](CO)N(CC2=CC=CC=C2)C(=O)C1 |
| Synonyms | (R)-1-BOC-4-BENZYL-3-(HYDROXYMETHYL)-5-OXOPIPERAZINE,
1384268-90-9,
(R)-tert-Butyl 4-benzyl-3-(hydroxymethyl)-5-oxopiperazine-1-carboxylate,
MFCD22573663,
ZINC91691662,
FCH3601492,
AS-36964,
AX8266732,
X-2678,
1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-5-oxo-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (3R)-,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.389g/mol |
| Monoisotopic Mass | 320.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number