2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate

C14H25NO3 — CID 90285006

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
SMILESC=CC(=O)OOCCC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H25NO3/c1-6-12(16)18-17-8-7-11-9-13(2,3)15-14(4,5)10-11/h6,11,15H,1,7-10H2,2-5H3
InChIKeyMDPDZVQPGLGIHB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate

2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate (PubChem CID 90285006) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
PubChem CID90285006
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
SMILESC=CC(=O)OOCCC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H25NO3/c1-6-12(16)18-17-8-7-11-9-13(2,3)15-14(4,5)10-11/h6,11,15H,1,7-10H2,2-5H3
InChIKeyMDPDZVQPGLGIHB-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate (CID 90285006) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate is C=CC(=O)OOCCC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
The InChIKey is MDPDZVQPGLGIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-12(16)18-17-8-7-11-9-13(2,3)15-14(4,5)10-11/h6,11,15H,1,7-10H2,2-5H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate has a molecular weight of 255.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl prop-2-eneperoxoate is sourced from PubChem (CID 90285006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).