1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone

C23H28FNO3 — CID 73211959

IUPAC1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
SMILESCC1(C)CCCC(C)(C)N1OC(Oc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H28FNO3/c1-22(2)15-8-16-23(3,4)25(22)28-21(27-19-9-6-5-7-10-19)20(26)17-11-13-18(24)14-12-17/h5-7,9-14,21H,8,15-16H2,1-4H3
InChIKeyNUZSFGJVHPVOHT-UHFFFAOYSA-N
MW385.48 g/mol
LogP5.39
Rot. Bonds6

About 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone

1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone (PubChem CID 73211959) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
PubChem CID73211959
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
SMILESCC1(C)CCCC(C)(C)N1OC(Oc1ccccc1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H28FNO3/c1-22(2)15-8-16-23(3,4)25(22)28-21(27-19-9-6-5-7-10-19)20(26)17-11-13-18(24)14-12-17/h5-7,9-14,21H,8,15-16H2,1-4H3
InChIKeyNUZSFGJVHPVOHT-UHFFFAOYSA-N
XLogP5.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone (CID 73211959) is 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone is CC1(C)CCCC(C)(C)N1OC(Oc1ccccc1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The InChIKey is NUZSFGJVHPVOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-22(2)15-8-16-23(3,4)25(22)28-21(27-19-9-6-5-7-10-19)20(26)17-11-13-18(24)14-12-17/h5-7,9-14,21H,8,15-16H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone has a molecular weight of 385.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone is sourced from PubChem (CID 73211959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).