4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate

C28H50N2O2 — CID 91131267

IUPAC4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=CC1CC(C)(C)N(CCOC(=O)C(=C)C)C(C)(C)C1.C=CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H29NO2.C11H21N/c1-8-14-11-16(4,5)18(17(6,7)12-14)9-10-20-15(19)13(2)3;1-6-9-7-10(2,3)12-11(4,5)8-9/h8,14H,1-2,9-12H2,3-7H3;6,9,12H,1,7-8H2,2-5H3
InChIKeyIWIPMCYXVKNFBA-UHFFFAOYSA-N
MW446.72 g/mol
LogP6.29
Rot. Bonds6

About 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate

4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 91131267) has the molecular formula C28H50N2O2 and a molecular weight of 446.72 g/mol. Its IUPAC name is 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID91131267
Molecular FormulaC28H50N2O2
Molecular Weight446.72 g/mol
Exact Mass446.39
IUPAC Name4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=CC1CC(C)(C)N(CCOC(=O)C(=C)C)C(C)(C)C1.C=CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H29NO2.C11H21N/c1-8-14-11-16(4,5)18(17(6,7)12-14)9-10-20-15(19)13(2)3;1-6-9-7-10(2,3)12-11(4,5)8-9/h8,14H,1-2,9-12H2,3-7H3;6,9,12H,1,7-8H2,2-5H3
InChIKeyIWIPMCYXVKNFBA-UHFFFAOYSA-N
XLogP6.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate 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-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate (CID 91131267) is 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate is C=CC1CC(C)(C)N(CCOC(=O)C(=C)C)C(C)(C)C1.C=CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is IWIPMCYXVKNFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.C11H21N/c1-8-14-11-16(4,5)18(17(6,7)12-14)9-10-20-15(19)13(2)3;1-6-9-7-10(2,3)12-11(4,5)8-9/h8,14H,1-2,9-12H2,3-7H3;6,9,12H,1,7-8H2,2-5H3.
What are the key properties of 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 446.72 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2,6,6-tetramethylpiperidine;2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 91131267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).