Basic information
- CAS
101711-12-0- Standard SMILES
CN1CCCC(OC(=O)C(O)(CCc2ccccc2)c2ccccc2)C1- InChIKey
NSARELXWXYQLNV-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Names & identifiers
- Preferred name
- Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester
- IUPAC
- (1-methylpiperidin-3-yl) 2-hydroxy-2,4-diphenylbutanoate
Names & synonyms
101711-12-0MANDELIC ACID, alpha-PHENETHYL-, 1-METHYL-3-PIPERIDYL ESTERRefChem:10888201-Methyl-4-piperidyl phenyl(2-phenylethyl)glycolate1-methylpiperidin-3-yl 2-hydroxy-2,4-diphenylbutanoateDTXSID90906567
Database identifiers
- CAS
101711-12-0- PubChem CID
- 58822
- DTXSID
DTXSID90906567
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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