2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate

C15H27NO3 — CID 90284723

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
SMILESC=CC(=O)OOCCC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H27NO3/c1-7-13(17)19-18-9-8-12-10-14(2,3)16(6)15(4,5)11-12/h7,12H,1,8-11H2,2-6H3
InChIKeyZIJVRGBPBCEQAB-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.94
Rot. Bonds5

About 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate

2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate (PubChem CID 90284723) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
PubChem CID90284723
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate
SMILESC=CC(=O)OOCCC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H27NO3/c1-7-13(17)19-18-9-8-12-10-14(2,3)16(6)15(4,5)11-12/h7,12H,1,8-11H2,2-6H3
InChIKeyZIJVRGBPBCEQAB-UHFFFAOYSA-N
XLogP2.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
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-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate (CID 90284723) is 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate is C=CC(=O)OOCCC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
The InChIKey is ZIJVRGBPBCEQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-13(17)19-18-9-8-12-10-14(2,3)16(6)15(4,5)11-12/h7,12H,1,8-11H2,2-6H3.
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate?
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate has a molecular weight of 269.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl prop-2-eneperoxoate is sourced from PubChem (CID 90284723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).