4-tert-Butyl-piperazine-1,2-dicarboxylic Acid 1-tert-Butyl Ester - CAS 894802-56-3
Catalog: |
BB055443 |
Product Name: |
4-tert-Butyl-piperazine-1,2-dicarboxylic Acid 1-tert-Butyl Ester |
CAS: |
894802-56-3 |
Synonyms: |
4-tert-Butyl-piperazine-1,2-dicarboxylic acid 1-tert-butyl ester; 1-(TERT-BUTOXYCARBONYL)-4-TERT-BUTYLPIPERAZINE-2-CARBOXYLIC ACID; 4-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid; 1-[(tert-butoxy)carbonyl]-4-tert-butylpiperazine-2-carboxylic acid; 1-(tert-butoxycarbonyl)-4-(tert-butyl)piperazine-2-carboxylic acid |
IUPAC Name: | 4-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
Molecular Weight: | 286.37 |
Molecular Formula: | C14H26N2O4 |
Canonical SMILES: | CC(C)(C)N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H26N2O4/c1-13(2,3)15-7-8-16(10(9-15)11(17)18)12(19)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,17,18) |
InChI Key: | FUIROEIGZLLCSV-UHFFFAOYSA-N |
References: | Bailey, J., et.al. PCT Int. Appl., 103, (2018). |
Complexity: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.18925731 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.18925731 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 70.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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