Basic information
- CAS
64050-28-8- Standard SMILES
CC(CN1CCCCC1C)OC(=O)c1ccccc1- InChIKey
AOHWZLNRXYUCPR-UHFFFAOYSA-N- Molecular formula
- C16H23NO2
- Average molar mass
- 261.36 g/mol
- Monoisotopic mass
- 261.17287898
Names & identifiers
- Preferred name
- 1-(2-Methylpiperidin-1-yl)propan-2-yl benzoate
- IUPAC
- 1-(2-methylpiperidin-1-yl)propan-2-yl benzoate
Names & synonyms
1-(2-methylpiperidin-1-yl)propan-2-yl benzoate64050-28-8DTXSID00982392RefChem:1054027DTXCID0014096551-Methyl-2-(2'-methylpiperidino)ethyl benzoateBENZOIC ACID, 1-METHYL-2-(2'-METHYLPIPERIDINO)ETHYL ESTER
Database identifiers
- CAS
64050-28-8- PubChem CID
- 46998
- DTXSID
DTXSID00982392- Nikkaji
- J83.458K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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