Butyrophenone, 4'-(4-hydroxypiperidino)-4-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-
Basic information
- CAS
101221-65-2- Standard SMILES
O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(N2CCC(O)CC2)cc1- InChIKey
ALZMYTGCGYGPQN-UHFFFAOYSA-N- Molecular formula
- C27H33F3N2O3
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.24432741
Names & identifiers
- Preferred name
- Butyrophenone, 4'-(4-hydroxypiperidino)-4-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-
- IUPAC
- 1-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
Names & synonyms
101221-65-2Butyrophenone, 4'-(4-hydroxypiperidino)-4-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-4-(4-(m-Trifluoromethylphenyl)-4-hydroxypiperidino)-p-(4-hydroxypiperidino)butyrophenoneDTXSID60143801RefChem:331390DTXCID00662921-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}butan-1-one
Database identifiers
- CAS
101221-65-2- PubChem CID
- 58219
- DTXSID
DTXSID60143801- Nikkaji
- J67.476A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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