1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl 4-chlorobenzenecarboxylate
Basic information
- CAS
321430-27-7- Standard SMILES
O=C(OC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(Cl)cc1- InChIKey
DSPCCMMCEHJILM-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2F3N2O2
- Average molar mass
- 419.2 g/mol
Names & identifiers
- Preferred name
- 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl 4-chlorobenzenecarboxylate
- IUPAC
- [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] 4-chlorobenzoate
- English name
- 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl 4-chlorobenzenecarboxylate
- Molecular formula
- C18H15Cl2F3N2O2
- Molecular weight
- 419.23
Names & synonyms
321430-27-71-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl 4-chlorobenzenecarboxylate[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl] 4-chlorobenzoate1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl 4-chlorobenzoate1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-4-yl 4-chlorobenzoateSMR000169616MLS000325682CHEMBL1456117HMS2411G14AKOS0050823031G-9061-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl4-chlorobenzoate
Show more names
Benzoic acid, 4-chloro-, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl ester
Database identifiers
- CAS
321430-27-7- ChEMBL
CHEMBL1456117
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Boiling point
- 480.4 · 480.4±45.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.39(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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