1-Boc-4-(3-Formylphenyl)piperazine - CAS 1257849-25-4
Catalog: |
BB072445 |
Product Name: |
1-Boc-4-(3-Formylphenyl)piperazine |
CAS: |
1257849-25-4 |
Synonyms: |
1-Boc-4-(3-Formylphenyl)piperazine; tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate; 4-(3-formyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester; 1-Piperazinecarboxylic acid, 4-(3-formylphenyl)-, 1,1-dimethylethyl ester |
IUPAC Name: | tert-butyl 4-(3-formylphenyl)piperazine-1-carboxylate |
Molecular Weight: | 290.35 |
Molecular Formula: | C16H22N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C=O |
InChI: | InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-7-17(8-10-18)14-6-4-5-13(11-14)12-19/h4-6,11-12H,7-10H2,1-3H3 |
InChI Key: | WAZWDNBEXXXPQA-UHFFFAOYSA-N |
Complexity: | 370 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.16304257 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.16304257 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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