Basic information
- CAS
439147-96-3- Standard SMILES
CC(=O)Oc1cccc(CN2CCCCC2)c1- InChIKey
NROKOCZESSJJHE-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Names & identifiers
- Preferred name
- Phenol, 3-(1-piperidinylmethyl)-, 1-acetate
- IUPAC
- [3-(piperidin-1-ylmethyl)phenyl] acetate
Names & synonyms
Phenol, 3-(1-piperidinylmethyl)-, 1-acetateOprea1_730202SCHEMBL9772076DTXSID101262305439147-96-33-[(Piperidin-1-yl)methyl]phenyl acetate
Database identifiers
- CAS
439147-96-3- PubChem CID
- 409200
- DTXSID
DTXSID101262305
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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