2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate

C15H25NO4 — CID 129289120

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate
SMILESCC1(C)CC(O)CC(C)(C)N1CCOC(=O)C1CC1=O
InChIInChI=1S/C15H25NO4/c1-14(2)8-10(17)9-15(3,4)16(14)5-6-20-13(19)11-7-12(11)18/h10-11,17H,5-9H2,1-4H3
InChIKeyOYWDWBURYWKAGW-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate (PubChem CID 129289120) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate
PubChem CID129289120
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate
SMILESCC1(C)CC(O)CC(C)(C)N1CCOC(=O)C1CC1=O
InChIInChI=1S/C15H25NO4/c1-14(2)8-10(17)9-15(3,4)16(14)5-6-20-13(19)11-7-12(11)18/h10-11,17H,5-9H2,1-4H3
InChIKeyOYWDWBURYWKAGW-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate (CID 129289120) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate is CC1(C)CC(O)CC(C)(C)N1CCOC(=O)C1CC1=O.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate?
The InChIKey is OYWDWBURYWKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2)8-10(17)9-15(3,4)16(14)5-6-20-13(19)11-7-12(11)18/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 2-oxocyclopropane-1-carboxylate is sourced from PubChem (CID 129289120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).