Basic information
- CAS
92956-13-3- Standard SMILES
C=C(C)C(O)(C(=O)OC1CCN(C)CC1)c1ccccc1- InChIKey
YIXLGEYTLLIJSR-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.1677936
Names & identifiers
- Preferred name
- 1-Methylpiperidin-4-yl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-3-methyl-2-phenylbut-3-enoate
- English name
- α-(1-Methylethenyl)-α-hydroxybenzeneacetic acid 1-methyl-4-piperidyl ester
- Molecular formula
- C17H23NO3
- Molecular weight
- 289.36942
Names & synonyms
92956-13-3DTXSID209188351-methylpiperidin-4-yl 2-hydroxy-3-methyl-2-phenylbut-3-enoateRefChem:1055882DTXCID001347778alpha-Isopropenylmandelic acid 1-methyl-4-pyridyl esterMANDELIC ACID, alpha-ISOPROPENYL-, 1-METHYL-4-PYRIDYL ESTERα-(1-Methylethenyl)-α-hydroxybenzeneacetic acid 1-methyl-4-piperidyl ester
Database identifiers
- CAS
92956-13-3- PubChem CID
- 56502
- DTXSID
DTXSID20918835- Nikkaji
- J147.702A
Properties
Computed structural properties
- XLogP
- 3
- 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
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…