4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

C13H25NO2 — CID 59990243

IUPAC4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC/C=C(/C)C1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-7-10(2)13(15)8-11(3,4)14(16)12(5,6)9-13/h7,15-16H,8-9H2,1-6H3/b10-7-
InChIKeyIBALCWSEOLLIBA-YFHOEESVSA-N
MW227.35 g/mol
LogP2.73
Rot. Bonds1

About 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol

4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 59990243) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID59990243
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC/C=C(/C)C1(O)CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-7-10(2)13(15)8-11(3,4)14(16)12(5,6)9-13/h7,15-16H,8-9H2,1-6H3/b10-7-
InChIKeyIBALCWSEOLLIBA-YFHOEESVSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol 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 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 59990243) is 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is C/C=C(/C)C1(O)CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is IBALCWSEOLLIBA-YFHOEESVSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-10(2)13(15)8-11(3,4)14(16)12(5,6)9-13/h7,15-16H,8-9H2,1-6H3/b10-7-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol?
4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 227.35 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 59990243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).