Basic information
- CAS
101756-46-1- Standard SMILES
CN1CCCC(COC(=O)C(O)(Cc2ccccc2)c2ccccc2)C1- InChIKey
UNLYBCILVRUEAE-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Names & identifiers
- Preferred name
- (1-Methylpiperidin-3-yl)methyl 2-hydroxy-2,3-diphenylpropanoate
- IUPAC
- (1-methylpiperidin-3-yl)methyl 2-hydroxy-2,3-diphenylpropanoate
Names & synonyms
101756-46-1(1-methylpiperidin-3-yl)methyl 2-hydroxy-2,3-diphenylpropanoateDTXSID00906598RefChem:1049286DTXCID501335695alpha-Benzylmandelic acid (1-methyl-3-piperidyl)methyl ester(1-Methyl-3-piperidyl)methyl benzylphenylglycolateMANDELIC ACID, alpha-BENZYL-, (1-METHYL-3-PIPERIDYL)METHYL ESTER
Database identifiers
- CAS
101756-46-1- PubChem CID
- 58869
- DTXSID
DTXSID00906598- Nikkaji
- J147.671H
Properties
Computed structural properties
- XLogP
- 3.7
- 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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