(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate

C17H33NO3 — CID 3826581

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate
SMILESCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C17H33NO3/c1-6-7-8-9-10-11-15(19)21-14-12-16(2,3)18(20)17(4,5)13-14/h14,20H,6-13H2,1-5H3
InChIKeyVZSCEEGBKGDYGI-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.30
Rot. Bonds7

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

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate (PubChem CID 3826581) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate
PubChem CID3826581
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate
SMILESCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C17H33NO3/c1-6-7-8-9-10-11-15(19)21-14-12-16(2,3)18(20)17(4,5)13-14/h14,20H,6-13H2,1-5H3
InChIKeyVZSCEEGBKGDYGI-UHFFFAOYSA-N
XLogP4.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-Tetramethylpiperidin-4-yl heptanoate
CID 16079014
Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate
CID 157881
1-Piperidinyloxy, 4,4'-((1,10-dioxo-1,10-decanediyl)bis(oxy))bis(2,2,6,6-tetramethyl-
CID 6451408
2,2,6,6-Tetramethylpiperidin-4-yl heptanoate hydrochloride
CID 11207937
Tinuvin 123
CID 3592789
(2,2,6,6-Tetramethylpiperidin-4-yl) octadecanoate
CID 14113416
2,2,6,6-Tetramethylpiperidin-4-yl hexadecanoate
CID 22391830
Bis(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)decandioate
CID 11272241
2,2,6,6-Tetramethylpiperidin-4-yl dodecanoate
CID 14032152
1-(2-Hydroxy-2-methylpropoxy)-4-octadecanoyloxy-2,2,6,6-tetramethylpiperidine
CID 21885088
2,2,6,6-Tetramethyl-4-capryloyl-oxypiperidine-1-oxyl
CID 152451
4-Hexanoyloxy-2,2,6,6-tetramethylpiperadinyl-1-oxy
CID 171502

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate (CID 3826581) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate is CCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate?
The InChIKey is VZSCEEGBKGDYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-6-7-8-9-10-11-15(19)21-14-12-16(2,3)18(20)17(4,5)13-14/h14,20H,6-13H2,1-5H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate has a molecular weight of 299.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate is sourced from PubChem (CID 3826581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).