4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine

C13H25NO — CID 175289125

IUPAC4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
SMILESC/C=C/COC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-6-7-8-15-11-9-12(2,3)14-13(4,5)10-11/h6-7,11,14H,8-10H2,1-5H3/b7-6+
InChIKeyZUWWUKPGOFABRQ-VOTSOKGWSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds3

About 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine

4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 175289125) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID175289125
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine
SMILESC/C=C/COC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-6-7-8-15-11-9-12(2,3)14-13(4,5)10-11/h6-7,11,14H,8-10H2,1-5H3/b7-6+
InChIKeyZUWWUKPGOFABRQ-VOTSOKGWSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine 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-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine (CID 175289125) is 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine is C/C=C/COC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is ZUWWUKPGOFABRQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-15-11-9-12(2,3)14-13(4,5)10-11/h6-7,11,14H,8-10H2,1-5H3/b7-6+.
What are the key properties of 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine?
4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 175289125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).