1-[4-[4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]ethanone

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Basic information

CAS: 420844-60-6
Standard SMILES: CC(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIKey: MSJLDKXCDPRWEB-UHFFFAOYSA-N
Molecular formula: C18H18F3N3O
Average molar mass: 349.3 g/mol
Monoisotopic mass: 349.14019669

Names & identifiers

Preferred name: 1-[4-[4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]ethanone
IUPAC: 1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]ethanone

Names & synonyms

MLS000108524SMR0001044791-[4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]ethanone420844-60-6SR-010002195941-(4-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}phenyl)ethanone1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]phenyl]ethanonecid_869896CHEMBL1431232BDBM37221DTXSID801146221HMS2539D03

Show more names

AB00096519-01SR-01000219594-1SR-01000219594-31-[4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]phenyl]ethanone1-(4-{4-[5-(Trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)ethan-1-oneEthanone, 1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]phenyl]-

Database identifiers

CAS: 420844-60-6
PubChem CID: 869896
DTXSID: DTXSID801146221
ChEMBL: CHEMBL1431232

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 455

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Compound notes

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