(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
Basic information
- CAS
544683-43-4- Standard SMILES
CC1CCCCN1C(=O)c1ccc(Br)o1- InChIKey
GDJWDAMVXQWKOI-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO2
- Average molar mass
- 272.14 g/mol
- Monoisotopic mass
- 271.02079
Names & identifiers
- Preferred name
- (5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
- IUPAC
- (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
Names & synonyms
544683-43-41-(5-bromo-2-furoyl)-2-methylpiperidine(5-bromofuran-2-yl)(2-methylpiperidin-1-yl)methanone(5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanoneMLS001125907CHEMBL1451048DTXSID901329486HMS2997K05STK443594AKOS003292617AKOS017262859SMR000665504
Show more names
5-bromo(2-furyl) 2-methylpiperidyl ketoneST50934924SR-01000257290SR-01000257290-1Z32968349
Database identifiers
- CAS
544683-43-4- PubChem CID
- 2932965
- DTXSID
DTXSID901329486- ChEMBL
CHEMBL1451048
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
Solubility37.7 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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