2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester
Basic information
- CAS
64048-09-5- Standard SMILES
CC1CCCCN1CCCOC(=O)c1cccs1- InChIKey
WYDBQEACYWRGIP-UHFFFAOYSA-N- Molecular formula
- C14H21NO2S
- Average molar mass
- 267.39 g/mol
- Monoisotopic mass
- 267.12930009
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl thiophene-2-carboxylate
Names & synonyms
64048-09-52-Thiophenecarboxylic acid, 3'-(2''-methylpiperidino)propyl esterRefChem:10648593-(2-methylpiperidin-1-yl)propyl thiophene-2-carboxylate2-Thiophenecarboxylic acid, 3-(2-methyl-1-piperidinyl)propyl ester3-(2-methylpiperidin-1-yl)propylthiophene-2-carboxylateDTXSID80982259
Database identifiers
- CAS
64048-09-5- PubChem CID
- 115774
- DTXSID
DTXSID80982259
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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