1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
Basic information
- CAS
157338-47-1- Standard SMILES
O=C(N1CCC(Cc2ccccc2)CC1)C(F)(F)F- InChIKey
FLCQYFFPGVUUFI-UHFFFAOYSA-N- Molecular formula
- C14H16F3NO
- Average molar mass
- 271.28 g/mol
- Monoisotopic mass
- 271.11839862
Names & identifiers
- Preferred name
- 1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
- IUPAC
- 1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
Names & synonyms
1-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one157338-47-11-(4-benzylpiperidin-1-yl)-2,2,2-trifluoroethanone4-benzyl-1-(trifluoroacetyl)piperidineMFCD03386353starbld0035902CHEMBL83946SCHEMBL4768006DTXSID001345089STK452031AKOS0032910321-(trifluoroacetyl)-4-benzylpiperidine
Show more names
NS-04359CS-0333986ST50941122AK-968/41927347SR-010002565262,2,2-trifluoro-1-[4-benzylpiperidyl]ethan-1-oneSR-01000256526-11-(4-benzyl-1-piperidyl)-2,2,2-trifluoro-ethanone
Database identifiers
- CAS
157338-47-1- PubChem CID
- 897795
- DTXSID
DTXSID001345089- ChEMBL
CHEMBL83946
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
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Related reactions
8 records
Compound notes
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