Basic information
- CAS
101564-43-6- Standard SMILES
CN1CCC(OC(=O)C(O)(C2=CCCCC2)c2ccccc2)CC1- InChIKey
WLSZAGLRMSFIPL-UHFFFAOYSA-N- Molecular formula
- C20H27NO3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.19909372
Names & identifiers
- Preferred name
- 1-Methylpiperidin-4-yl (cyclohex-1-en-1-yl)(hydroxy)phenylacetate
- IUPAC
- (1-methylpiperidin-4-yl) 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetate
Names & synonyms
101564-43-6DTXSID209063381-Methylpiperidin-4-yl (cyclohex-1-en-1-yl)(hydroxy)phenylacetateRefChem:1055873DTXCID6013354361-Methyl-4-piperidyl phenyl(1-cyclohexenyl)glycolate1-Cyclohexeneglycolic acid, alpha-phenyl-, 1-methyl-4-piperidyl ester1-Methylpiperidin-4-yl (cyclohex-1-en-1-yl)(hydroxy)(phenyl)acetate
Database identifiers
- CAS
101564-43-6- PubChem CID
- 3063752
- DTXSID
DTXSID20906338- Nikkaji
- J77.855I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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