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

C17H29NO2 — CID 22964441

IUPAC2-(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
InChIInChI=1S/C17H29NO2/c1-8-14-11-16(4,5)18(17(6,7)12-14)9-10-20-15(19)13(2)3/h8,14H,1-2,9-12H2,3-7H3
InChIKeyCXCNKQGICHIZAX-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.56
Rot. Bonds5

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

2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 22964441) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID22964441
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(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
InChIInChI=1S/C17H29NO2/c1-8-14-11-16(4,5)18(17(6,7)12-14)9-10-20-15(19)13(2)3/h8,14H,1-2,9-12H2,3-7H3
InChIKeyCXCNKQGICHIZAX-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate (CID 22964441) is 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 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.
What is the InChIKey of 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is CXCNKQGICHIZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-8-14-11-16(4,5)18(17(6,7)12-14)9-10-20-15(19)13(2)3/h8,14H,1-2,9-12H2,3-7H3.
What are the key properties of 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 279.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22964441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).