[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate

C19H35NO5 — CID 129265175

IUPAC[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)C(=O)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C19H35NO5/c1-9-17(2,3)16(23)25-12-14(21)15(22)13-10-18(4,5)20(24-8)19(6,7)11-13/h13-14,21H,9-12H2,1-8H3
InChIKeyXPVSGPLOAHAOSD-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.73
Rot. Bonds7

About [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate

[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate (PubChem CID 129265175) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate
PubChem CID129265175
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(O)C(=O)C1CC(C)(C)N(OC)C(C)(C)C1
InChIInChI=1S/C19H35NO5/c1-9-17(2,3)16(23)25-12-14(21)15(22)13-10-18(4,5)20(24-8)19(6,7)11-13/h13-14,21H,9-12H2,1-8H3
InChIKeyXPVSGPLOAHAOSD-UHFFFAOYSA-N
XLogP2.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate with MolForge

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Related Compounds

(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
CID 134215746
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
[2-[2-(1-adamantyl)propan-2-yloxy]-2-hydroxyethyl] 2,2-dimethylbutanoate
CID 59503074
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
[3-(2,3-dihydroxypropanoyloxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 155624591
1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-en-1-one
CID 90169474
2-(2,2-dimethyl-1,3-dioxolan-4-yl)propyl 2,2-dimethylbutanoate
CID 71100977
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 4-ethyl-2,2-dimethylpentanedioate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylbutanoate;(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-methylbutanoate;1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-methyl 4-ethyl-2,2,4-trimethylpentanedioate;methane;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylbutanoate
CID 161098087
2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-oxopropan-2-yl]oxypropyl 2,2-dimethylbutanoate
CID 88875867
4-[3-(2,2-dimethylbutanoyloxy)-2-hydroxypropoxy]carbonylcyclobutane-1,2,3-tricarboxylic acid
CID 21045150
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 162488757
(2-cyclohexyl-3,3,5,5,5-pentafluoro-4-hydroxypentyl) 2,2-dimethylbutanoate
CID 59126283

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate (CID 129265175) is [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(O)C(=O)C1CC(C)(C)N(OC)C(C)(C)C1.
What is the InChIKey of [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate?
The InChIKey is XPVSGPLOAHAOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-9-17(2,3)16(23)25-12-14(21)15(22)13-10-18(4,5)20(24-8)19(6,7)11-13/h13-14,21H,9-12H2,1-8H3.
What are the key properties of [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate?
[2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate has a molecular weight of 357.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-3-oxopropyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 129265175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).