2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate

C16H31NO5 — CID 20728665

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate
SMILESCOOCCCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H31NO5/c1-15(2)11-13(18)12-16(3,4)17(15)8-10-21-14(19)7-6-9-22-20-5/h13,18H,6-12H2,1-5H3
InChIKeyPVGMHYZBODWSEG-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.90
Rot. Bonds8

About 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate (PubChem CID 20728665) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate
PubChem CID20728665
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate
SMILESCOOCCCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H31NO5/c1-15(2)11-13(18)12-16(3,4)17(15)8-10-21-14(19)7-6-9-22-20-5/h13,18H,6-12H2,1-5H3
InChIKeyPVGMHYZBODWSEG-UHFFFAOYSA-N
XLogP1.90
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Butanedioic acid;1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 172473
11,11,14,14-Tetramethyl-2,7-dioxa-10-azabicyclo[8.2.2]tetradecane-3,6-dione
CID 723999
Plastic additive 22
CID 22069543
2-(4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl methyl butanedioate
CID 18338386
2-(4-Methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
CID 22946613
Ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 13841720
2,2-Dimethylbutanedioic acid;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 18329128
Butanedioic acid;1-(2-hydroxyethyl)-2,2,3,3,6,6-hexamethylpiperidin-4-ol
CID 18671066
Butanedioic acid;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 20355250
[1-(2,3-Dihydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 20487810
Methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 20562907
4-O-[2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
CID 20731274

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate (CID 20728665) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate is COOCCCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate?
The InChIKey is PVGMHYZBODWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5/c1-15(2)11-13(18)12-16(3,4)17(15)8-10-21-14(19)7-6-9-22-20-5/h13,18H,6-12H2,1-5H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate has a molecular weight of 317.43 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylperoxybutanoate is sourced from PubChem (CID 20728665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).