1-Boc-5-(3-chlorophenyl)piperidin-2-one - CAS 2006277-50-3
Catalog: |
BB015544 |
Product Name: |
1-Boc-5-(3-chlorophenyl)piperidin-2-one |
CAS: |
2006277-50-3 |
Synonyms: |
5-(3-chlorophenyl)-2-oxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 5-(3-chlorophenyl)-2-oxopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl 5-(3-chlorophenyl)-2-oxopiperidine-1-carboxylate |
Description: | 1-Boc-5-(3-chlorophenyl)piperidin-2-one (CAS# 2006277-50-3 ) is a useful research chemical. |
Molecular Weight: | 309.79 |
Molecular Formula: | C16H20ClNO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CCC1=O)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C16H20ClNO3/c1-16(2,3)21-15(20)18-10-12(7-8-14(18)19)11-5-4-6-13(17)9-11/h4-6,9,12H,7-8,10H2,1-3H3 |
InChI Key: | MYUQIWAXSPYUGN-UHFFFAOYSA-N |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.1131712 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.1131712 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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