Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate
Basic information
- CAS
88826-72-6- Standard SMILES
CCC(C)OC(=O)CC(c1ccccc1)N1CCCCC1- InChIKey
CQLCJFCUAHKNIE-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Names & identifiers
- Preferred name
- Butan-2-YL 3-phenyl-3-(piperidin-1-YL)propanoate
- IUPAC
- butan-2-yl 3-phenyl-3-piperidin-1-ylpropanoate
Names & synonyms
88826-72-6BUTAN-2-YL 3-PHENYL-3-(PIPERIDIN-1-YL)PROPANOATEDTXSID50329091
Database identifiers
- CAS
88826-72-6- PubChem CID
- 417272
- DTXSID
DTXSID50329091
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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