tert-Butyl 4-[3-(4-Bromo-phenyl)-3-oxo-propionyl]-piperidine-1-carboxylate - CAS 1017781-49-5
Catalog: |
BB062153 |
Product Name: |
tert-Butyl 4-[3-(4-Bromo-phenyl)-3-oxo-propionyl]-piperidine-1-carboxylate |
CAS: |
1017781-49-5 |
Synonyms: |
tert-Butyl 4-(3-(4-bromophenyl)-3-oxopropanoyl)piperidine-1-carboxylate; 4-[3-(4-BROMO-PHENYL)-3-OXO-PROPIONYL]-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER; tert-butyl 4-[3-(4-bromophenyl)-3-oxopropanoyl]piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[3-(4-bromophenyl)-3-oxopropanoyl]piperidine-1-carboxylate |
Molecular Weight: | 410.3 |
Molecular Formula: | C19H24NO4Br |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CC(=O)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C19H24BrNO4/c1-19(2,3)25-18(24)21-10-8-14(9-11-21)17(23)12-16(22)13-4-6-15(20)7-5-13/h4-7,14H,8-12H2,1-3H3 |
InChI Key: | HYPNRUMOHGUQHU-UHFFFAOYSA-N |
Complexity: | 498 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 409.08887 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 409.08887 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 63.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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