2-Furoic acid, 3'-(2''-methylpiperidino)propyl ester
Basic information
- CAS
63938-46-5- Standard SMILES
CC1CCCCN1CCCOC(=O)c1ccco1- InChIKey
BUEGMKXWTLQONM-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- 2-Furoic acid, 3'-(2''-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate
- English name
- 2-Furancarboxylic acid 3-(2-methylpiperidino)propyl ester
- Molecular formula
- C14H21NO3
- Molecular weight
- 251.32
Names & synonyms
63938-46-52-Furoic acid, 3'-(2''-methylpiperidino)propyl esterRefChem:10632483-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate65100-54-12-Furancarboxylic acid, 3'-(2''-methylpiperidino)propyl ester2-Furancarboxylic acid 3-(2-methylpiperidino)propyl esterDTXSID90981233DB-3033662-Furancarboxylic acid, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
63938-46-5- PubChem CID
- 115382
- DTXSID
DTXSID90981233- Nikkaji
- J75.549D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 352 · 352.0±22.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- pka
- 9.41 · 9.41±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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