(1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
Basic information
- CAS
62967-22-0- Standard SMILES
Cc1[nH]c(C)c(C(=O)OC2CCN(C)CC2)c1C.O=C(O)C(F)(F)F- InChIKey
PNKORAOIKCUKMU-UHFFFAOYSA-N- Molecular formula
- C16H23F3N2O4
- Average molar mass
- 364.36 g/mol
- Monoisotopic mass
- 364.16099171
Names & identifiers
- Preferred name
- (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
- IUPAC
- (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
Names & synonyms
NSC30176662967-22-0CHEMBL3245189DTXSID30316308NSC-301766Trifluoroacetic acid--1-methylpiperidin-4-yl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate (1/1)
Database identifiers
- CAS
62967-22-0- PubChem CID
- 327308
- DTXSID
DTXSID30316308- ChEMBL
CHEMBL3245189
Properties
Computed structural properties
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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