16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid

C25H49NO3 — CID 54045594

IUPAC16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid
SMILESCC1(C)CC(CCCCCCCCCCCCCCCC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C25H49NO3/c1-24(2)20-22(21-25(3,4)26(24)29)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23(27)28/h22,29H,5-21H2,1-4H3,(H,27,28)
InChIKeySOUWIVAWRSEELJ-UHFFFAOYSA-N
MW411.67 g/mol
LogP7.58
Rot. Bonds16

About 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid

16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid (PubChem CID 54045594) has the molecular formula C25H49NO3 and a molecular weight of 411.67 g/mol. Its IUPAC name is 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid.

Molecular Properties

Compound Name16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid
PubChem CID54045594
Molecular FormulaC25H49NO3
Molecular Weight411.67 g/mol
Exact Mass411.37
IUPAC Name16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid
SMILESCC1(C)CC(CCCCCCCCCCCCCCCC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C25H49NO3/c1-24(2)20-22(21-25(3,4)26(24)29)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23(27)28/h22,29H,5-21H2,1-4H3,(H,27,28)
InChIKeySOUWIVAWRSEELJ-UHFFFAOYSA-N
XLogP7.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid?
The IUPAC name of 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid (CID 54045594) is 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid.
What is the SMILES notation for 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid?
The canonical SMILES for 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid is CC1(C)CC(CCCCCCCCCCCCCCCC(=O)O)CC(C)(C)N1O.
What is the InChIKey of 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid?
The InChIKey is SOUWIVAWRSEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49NO3/c1-24(2)20-22(21-25(3,4)26(24)29)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23(27)28/h22,29H,5-21H2,1-4H3,(H,27,28).
What are the key properties of 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid?
16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid has a molecular weight of 411.67 g/mol, XLogP of 7.58, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)hexadecanoic acid is sourced from PubChem (CID 54045594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).