(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate

C14H25NO4 — CID 155198262

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
SMILESCC(C=O)CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO4/c1-10(9-16)6-12(17)19-11-7-13(2,3)15(18)14(4,5)8-11/h9-11,18H,6-8H2,1-5H3
InChIKeyZFSCTBNWJRAUCT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.17
Rot. Bonds4

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate (PubChem CID 155198262) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
PubChem CID155198262
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
SMILESCC(C=O)CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H25NO4/c1-10(9-16)6-12(17)19-11-7-13(2,3)15(18)14(4,5)8-11/h9-11,18H,6-8H2,1-5H3
InChIKeyZFSCTBNWJRAUCT-UHFFFAOYSA-N
XLogP2.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate (CID 155198262) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate is CC(C=O)CC(=O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate?
The InChIKey is ZFSCTBNWJRAUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(9-16)6-12(17)19-11-7-13(2,3)15(18)14(4,5)8-11/h9-11,18H,6-8H2,1-5H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate has a molecular weight of 271.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate is sourced from PubChem (CID 155198262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).