[(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate

C23H35NO3 — CID 102183085

IUPAC[(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate
SMILESCC(=O)OC/C=C/CCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C23H35NO3/c1-19(25)26-18-11-7-10-15-21(20-13-8-6-9-14-20)27-24-22(2,3)16-12-17-23(24,4)5/h6-9,11,13-14,21H,10,12,15-18H2,1-5H3/b11-7+
InChIKeyQZYJNDFTTNWQFF-YRNVUSSQSA-N
MW373.54 g/mol
LogP5.60
Rot. Bonds8

About [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate

[(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate (PubChem CID 102183085) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate
PubChem CID102183085
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name[(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate
SMILESCC(=O)OC/C=C/CCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1
InChIInChI=1S/C23H35NO3/c1-19(25)26-18-11-7-10-15-21(20-13-8-6-9-14-20)27-24-22(2,3)16-12-17-23(24,4)5/h6-9,11,13-14,21H,10,12,15-18H2,1-5H3/b11-7+
InChIKeyQZYJNDFTTNWQFF-YRNVUSSQSA-N
XLogP5.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate 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 [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate?
The IUPAC name of [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate (CID 102183085) is [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate.
What is the SMILES notation for [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate?
The canonical SMILES for [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate is CC(=O)OC/C=C/CCC(ON1C(C)(C)CCCC1(C)C)c1ccccc1.
What is the InChIKey of [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate?
The InChIKey is QZYJNDFTTNWQFF-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H35NO3/c1-19(25)26-18-11-7-10-15-21(20-13-8-6-9-14-20)27-24-22(2,3)16-12-17-23(24,4)5/h6-9,11,13-14,21H,10,12,15-18H2,1-5H3/b11-7+.
What are the key properties of [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate?
[(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate has a molecular weight of 373.54 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-phenyl-6-(2,2,6,6-tetramethylpiperidin-1-yl)oxyhex-2-enyl] acetate is sourced from PubChem (CID 102183085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).