1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol

C25H46N2O2 — CID 91279253

IUPAC1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol
SMILESCCCCCCCCCCCCn1c(O)cc(N2C(C)(C)CCCC2(C)C)c1O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-19-26-22(28)20-21(23(26)29)27-24(2,3)17-16-18-25(27,4)5/h20,28-29H,6-19H2,1-5H3
InChIKeyXZDKAGIUUJEVIU-UHFFFAOYSA-N
MW406.66 g/mol
LogP7.37
Rot. Bonds12

About 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol

1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol (PubChem CID 91279253) has the molecular formula C25H46N2O2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol
PubChem CID91279253
Molecular FormulaC25H46N2O2
Molecular Weight406.66 g/mol
Exact Mass406.36
IUPAC Name1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol
SMILESCCCCCCCCCCCCn1c(O)cc(N2C(C)(C)CCCC2(C)C)c1O
InChIInChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-19-26-22(28)20-21(23(26)29)27-24(2,3)17-16-18-25(27,4)5/h20,28-29H,6-19H2,1-5H3
InChIKeyXZDKAGIUUJEVIU-UHFFFAOYSA-N
XLogP7.37
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol?
The IUPAC name of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol (CID 91279253) is 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol.
What is the SMILES notation for 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol?
The canonical SMILES for 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol is CCCCCCCCCCCCn1c(O)cc(N2C(C)(C)CCCC2(C)C)c1O.
What is the InChIKey of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol?
The InChIKey is XZDKAGIUUJEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-19-26-22(28)20-21(23(26)29)27-24(2,3)17-16-18-25(27,4)5/h20,28-29H,6-19H2,1-5H3.
What are the key properties of 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol?
1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol has a molecular weight of 406.66 g/mol, XLogP of 7.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-(2,2,6,6-tetramethylpiperidin-1-yl)pyrrole-2,5-diol is sourced from PubChem (CID 91279253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).