4-Piperidinol, 1,2,2,6,6-pentamethyl-, 3,3-diphenylpropionate (ester)
Basic information
- CAS
20811-87-4- Standard SMILES
CN1C(C)(C)CC(OC(=O)CC(c2ccccc2)c2ccccc2)CC1(C)C- InChIKey
JKYLARUULDDGFQ-UHFFFAOYSA-N- Molecular formula
- C25H33NO2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.2511293
Names & identifiers
- Preferred name
- 4-Piperidinol, 1,2,2,6,6-pentamethyl-, 3,3-diphenylpropionate (ester)
- IUPAC
- (1,2,2,6,6-pentamethylpiperidin-4-yl) 3,3-diphenylpropanoate
- English name
- Propionic acid, 3,3-diphenyl-, 1,2,2,6,6-pentamethyl-4-piperidinyl est er
- Molecular formula
- C25H33NO2
- Molecular weight
- 379.54
Names & synonyms
20811-87-4BRN 1494573DTXSID301749253,3-Diphenylpropionic acid 1,2,2,6,6-pentamethyl-4-piperidinyl ester4-Piperidinol, 1,2,2,6,6-pentamethyl-, 3,3-diphenylpropionate (ester)Propionic acid, 3,3-diphenyl-, 1,2,2,6,6-pentamethyl-4-piperidinyl esterRefChem:295680DTXCID90974161,2,2,6,6-pentamethylpiperidin-4-yl 3,3-diphenylpropanoatePropionic acid, 3,3-diphenyl-, 1,2,2,6,6-pentamethyl-4-piperidinyl est er1,2,2,6,6-Pentamethyl-4-piperidinyl=3,3-diphenylpropionateBenzenepropanoic acid, β-phenyl-, 1,2,2,6,6-pentamethyl-4-piperidinyl ester
Database identifiers
- CAS
20811-87-4- PubChem CID
- 209997
- DTXSID
DTXSID30174925- Nikkaji
- J50.697D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 457.8 · 457.8±45.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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