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

C27H53NO3 — CID 580171

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C27H53NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)31-24-22-26(2,3)28(30)27(4,5)23-24/h24,30H,6-23H2,1-5H3
InChIKeyIYKZUARSRNSVTC-UHFFFAOYSA-N
MW439.73 g/mol
LogP8.20
Rot. Bonds17

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

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate (PubChem CID 580171) has the molecular formula C27H53NO3 and a molecular weight of 439.73 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate
PubChem CID580171
Molecular FormulaC27H53NO3
Molecular Weight439.73 g/mol
Exact Mass439.40
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C27H53NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)31-24-22-26(2,3)28(30)27(4,5)23-24/h24,30H,6-23H2,1-5H3
InChIKeyIYKZUARSRNSVTC-UHFFFAOYSA-N
XLogP8.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.73
LogP ≤ 58.20
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) octadecanoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate (CID 580171) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate?
The InChIKey is IYKZUARSRNSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(29)31-24-22-26(2,3)28(30)27(4,5)23-24/h24,30H,6-23H2,1-5H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octadecanoate has a molecular weight of 439.73 g/mol, XLogP of 8.20, 17 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) octadecanoate is sourced from PubChem (CID 580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).