1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone

C17H25NO2 — CID 71329524

IUPAC1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
SMILESCC1(C)CCCC(C)(C)N1OCC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-16(2)11-8-12-17(3,4)18(16)20-13-15(19)14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyDFGDXRQLYRZYTR-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.84
Rot. Bonds4

About 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone

1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone (PubChem CID 71329524) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone.

Molecular Properties

Compound Name1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
PubChem CID71329524
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone
SMILESCC1(C)CCCC(C)(C)N1OCC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-16(2)11-8-12-17(3,4)18(16)20-13-15(19)14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyDFGDXRQLYRZYTR-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylphenyl)-2-(2,2,6,6-tetramethylpiperazin-1-yl)oxyethanone
CID 132515901
1,3-diphenyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropan-1-one
CID 57081141
2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine
CID 102127816
3-(1-methylcyclohexyl)-1-phenylpropan-1-one
CID 164668624
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutane-1,3-dione
CID 12997351
N-ethyl-3-oxo-3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanamide
CID 122388240
ethane;N-methyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetamide
CID 170609324
methyl 3-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 13213172
[2-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]phenyl]methanol
CID 142744550
4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxycarbonylamino]butyl benzoate
CID 57269165
2-phenacyloxy-1-phenylethanone
CID 12781821

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The IUPAC name of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone (CID 71329524) is 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone.
What is the SMILES notation for 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The canonical SMILES for 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone is CC1(C)CCCC(C)(C)N1OCC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
The InChIKey is DFGDXRQLYRZYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)11-8-12-17(3,4)18(16)20-13-15(19)14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3.
What are the key properties of 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone?
1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone has a molecular weight of 275.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyethanone is sourced from PubChem (CID 71329524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).