Benzoic acid, (1-phenyl-2-piperidino)ethyl ester
Basic information
- CAS
67031-68-9- Standard SMILES
O=C(OC(CN1CCCCC1)c1ccccc1)c1ccccc1- InChIKey
ARFDWWNAZVZZBC-UHFFFAOYSA-N- Molecular formula
- C20H23NO2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.17287898
Names & identifiers
- Preferred name
- Benzoic acid, (1-phenyl-2-piperidino)ethyl ester
- IUPAC
- (1-phenyl-2-piperidin-1-ylethyl) benzoate
- English name
- 1-Phenyl-2-piperidinoethyl=benzoate
- Molecular formula
- C20H23NO2
- Molecular weight
- 309.4
Names & synonyms
67031-68-9BENZOIC ACID, (1-PHENYL-2-PIPERIDINO)ETHYL ESTERRefChem:1078906N-beta-Benzoyloxy-beta-phenylethylpiperidine1-PHENYL-2-(PIPERIDIN-1-YL)ETHYL BENZOATEDTXSID309859321-Phenyl-2-piperidinoethyl=benzoate1-Piperidineethanol, α-phenyl-, 1-benzoate
Database identifiers
- CAS
67031-68-9- PubChem CID
- 48928
- DTXSID
DTXSID30985932- Nikkaji
- J83.488B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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