Ethyl 1-(2-hydroxymethylphenyl)piperidine-4-carboxylate
Basic information
- CAS
773870-63-6- Standard SMILES
CCOC(=O)C1CCN(c2ccccc2CO)CC1- InChIKey
FYCMDXGKVLEOOK-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- Ethyl 1-(2-hydroxymethylphenyl)piperidine-4-carboxylate
- IUPAC
- ethyl 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate
- English name
- 1-(2-Hydroxymethylphenyl)piperidine-4-carboxylic acid ethyl ester
- Molecular formula
- C15H21NO3
- Molecular weight
- 263.33
Names & synonyms
773870-63-6Ethyl 1-(2-hydroxymethylphenyl)piperidine-4-carboxylateethyl 1-[2-(hydroxymethyl)phenyl]piperidine-4-carboxylate1-(2-HYDROXYMETHYLPHENYL)PIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTERethyl 1-(2-(hydroxymethyl)phenyl)piperidine-4-carboxylateEthyl1-(2-hydroxymethylphenyl)piperidine-4-carboxylateSCHEMBL18914465DTXSID106594671-(2-Hydroxymethylphenyl)piperidine-4-carboxylic acid. ethyl esterSBB067544AKOS015911286RARECHEM AL BD 1102
Show more names
1-[2-(hydroxymethyl)phenyl]-4-piperidinecarboxylic acid ethyl ester4-Piperidinecarboxylic acid, 1-[2-(hydroxymethyl)phenyl]-, ethyl ester
Database identifiers
- CAS
773870-63-6- PubChem CID
- 44558600
- DTXSID
DTXSID10659467
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 410.1 · 410.1±45.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.29 · 14.29±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…