Basic information
- CAS
149452-44-8- Standard SMILES
O=C(c1ccc(C(F)(F)F)cc1)C1CCNCC1- InChIKey
IZNSIDSQTFZSQP-UHFFFAOYSA-N- Molecular formula
- C13H14F3NO
- Average molar mass
- 257.25 g/mol
- Monoisotopic mass
- 257.10274873
Names & identifiers
- Preferred name
- 4-(4-Trifluoromethylbenzoyl)piperidine
- IUPAC
- piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone
- English name
- (Piperidin-4-yl)(4-trifluoromethylphenyl)methanone
- Molecular formula
- C13H14F3NO
- Molecular weight
- 257.25
Names & synonyms
149452-44-84-(4-trifluoromethylbenzoyl)piperidinepiperidin-4-yl-[4-(trifluoromethyl)phenyl]methanone(PIPERIDIN-4-YL)(4-TRIFLUOROMETHYLPHENYL)METHANONEPiperidin-4-yl(4-(trifluoromethyl)phenyl)methanoneSCHEMBL4240412SCHEMBL4670997DTXSID20469832DB-063806(Piperidin-4-yl)[4-(trifluoromethyl)phenyl]methanone4-piperidinyl[4-(trifluoromethyl)phenyl]MethanoneMethanone, 4-piperidinyl[4-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
149452-44-8- PubChem CID
- 11637455
- DTXSID
DTXSID20469832- Nikkaji
- J3.536.004B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 334 · 334.0±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 9 · 9+-.0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
4 records
Compound notes
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