Basic information
- CAS
62621-87-8- Standard SMILES
O=C(CC1COc2ccccc2O1)N1CCC(O)(c2ccccc2)CC1- InChIKey
GCIXFWYMCSSZNQ-UHFFFAOYSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270822
Names & identifiers
- Preferred name
- 2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethan-1-one
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
Names & synonyms
62621-87-8SCHEMBL11537204DTXSID50612576GCIXFWYMCSSZNQ-UHFFFAOYSA-N2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethan-1-one1-[2-(1,4-benzodioxan-2-yl)-acetyl]-4-hydroxy-4-phenylpiperidine
Database identifiers
- CAS
62621-87-8- PubChem CID
- 21331982
- DTXSID
DTXSID50612576
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 482
Related reactions
5 records
Compound notes
Loading…