1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione

C19H27NO3 — CID 12997351

IUPAC1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
SMILESCC(=O)C(ON1C(C)(C)CCCC1(C)C)C(=O)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-14(21)17(16(22)15-10-7-6-8-11-15)23-20-18(2,3)12-9-13-19(20,4)5/h6-8,10-11,17H,9,12-13H2,1-5H3
InChIKeyCDYFELPRQYSOQC-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.80
Rot. Bonds5

About 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione

1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione (PubChem CID 12997351) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione.

Molecular Properties

Compound Name1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
PubChem CID12997351
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
SMILESCC(=O)C(ON1C(C)(C)CCCC1(C)C)C(=O)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-14(21)17(16(22)15-10-7-6-8-11-15)23-20-18(2,3)12-9-13-19(20,4)5/h6-8,10-11,17H,9,12-13H2,1-5H3
InChIKeyCDYFELPRQYSOQC-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
2-(3-methoxyphenoxy)-1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 102433425
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
1-(4-fluorophenyl)-2-phenoxy-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 73211959
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
CID 71329524
methyl 3-(furan-2-yl)-3-oxo-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 122388239
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
(1,3-dioxo-1-phenylbutan-2-yl) sulfite
CID 57291588
[1-(azepan-1-yl)-1,3-dioxo-3-phenylpropan-2-yl] methanesulfonate
CID 101120466
[2-(4-fluorophenyl)-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] acetate
CID 101430933
1,2,2,6,6-pentamethylpiperidine;phenyl-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 159951364
4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate
CID 57269165

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione?
The IUPAC name of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione (CID 12997351) is 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione.
What is the SMILES notation for 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione?
The canonical SMILES for 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione is CC(=O)C(ON1C(C)(C)CCCC1(C)C)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione?
The InChIKey is CDYFELPRQYSOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14(21)17(16(22)15-10-7-6-8-11-15)23-20-18(2,3)12-9-13-19(20,4)5/h6-8,10-11,17H,9,12-13H2,1-5H3.
What are the key properties of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione?
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione has a molecular weight of 317.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione is sourced from PubChem (CID 12997351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).