Basic information
- CAS
92956-04-2- Standard SMILES
CC#CC(O)(C(=O)OC1CCCN(C)C1)c1ccccc1- InChIKey
VJUIYPDYTKCPSJ-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- 1-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoate
- IUPAC
- (1-methylpiperidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Names & synonyms
92956-04-2DTXSID709188401-Methylpiperidin-3-yl 2-hydroxy-2-phenylpent-3-ynoateRefChem:1055866DTXCID1013477831-Methyl-3-piperidyl phenyl(propynyl)glycolateMANDELIC ACID, alpha-(1-PROPYNYL)-, 1-METHYL-3-PIPERIDYL ESTER
Database identifiers
- CAS
92956-04-2- PubChem CID
- 56497
- DTXSID
DTXSID70918840- Nikkaji
- J147.729C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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