4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol

C13H25NO — CID 59912286

IUPAC4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=CCCC1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-6-7-8-13(15)9-11(2,3)14-12(4,5)10-13/h6,14-15H,1,7-10H2,2-5H3
InChIKeyKTZNVSXEAOGBSD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.62
Rot. Bonds3

About 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol

4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 59912286) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID59912286
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=CCCC1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-6-7-8-13(15)9-11(2,3)14-12(4,5)10-13/h6,14-15H,1,7-10H2,2-5H3
InChIKeyKTZNVSXEAOGBSD-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol (CID 59912286) is 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol is C=CCCC1(O)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is KTZNVSXEAOGBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-13(15)9-11(2,3)14-12(4,5)10-13/h6,14-15H,1,7-10H2,2-5H3.
What are the key properties of 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol?
4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 59912286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).