N-(2,5-difluorophenyl)-3-methylpiperidine-1-carboxamide
Basic information
- CAS
198077-77-9- Standard SMILES
CC1CCCN(C(=O)Nc2cc(F)ccc2F)C1- InChIKey
JIJITNCIFJJKLK-UHFFFAOYSA-N- Molecular formula
- C13H16F2N2O
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.12306946
Names & identifiers
- Preferred name
- N-(2,5-difluorophenyl)-3-methylpiperidine-1-carboxamide
- IUPAC
- N-(2,5-difluorophenyl)-3-methylpiperidine-1-carboxamide
- English name
- 1-(N-(2,5-Difluorophenyl)carbamoyl)-3-methylpiperidine
- Molecular formula
- C13H16F2N2O
- Molecular weight
- 254.28
Names & synonyms
N-(2,5-difluorophenyl)-3-methylpiperidine-1-carboxamideDTXSID4012065981-(N-(2,5-DIFLUOROPHENYL)CARBAMOYL)-3-METHYLPIPERIDINEAKOS024340574198077-77-9N-(2,5-Difluorophenyl)-3-methyl-1-piperidinecarboxamide1-Piperidinecarboxamide, N-(2,5-difluorophenyl)-3-methyl-
Database identifiers
- CAS
198077-77-9- PubChem CID
- 4588901
- DTXSID
DTXSID401206598
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 384.684 · 384.684±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.275 · 12.275±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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