2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethan-1-one

HCID 21331982

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

Related reactions

5 records

Compound notes

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