Basic information
- CAS
102585-49-9- Standard SMILES
CN1CCC(O)(COC(=O)C(c2ccccc2)c2ccccc2)CC1- InChIKey
PCZRSAQOOKFISM-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- (4-Hydroxy-1-methylpiperidin-4-yl)methyl diphenylacetate
- IUPAC
- (4-hydroxy-1-methylpiperidin-4-yl)methyl 2,2-diphenylacetate
Names & synonyms
102585-49-9DTXSID20907860(4-hydroxy-1-methylpiperidin-4-yl)methyl diphenylacetateRefChem:1050426DTXCID501336948ACETIC ACID, 2,2-DIPHENYL-, (4-HYDROXY-1-METHYL-4-PIPERIDYL)METHYL ESTER4-(4-Hydroxy-1-methylpiperidine)methyl diphenylacetate
Database identifiers
- CAS
102585-49-9- PubChem CID
- 59601
- DTXSID
DTXSID20907860- Nikkaji
- J86.184G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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