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

C15H27NO4 — CID 87277156

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate
SMILESCC1(C)CC(O)CC(C)(C)N1CCOC(=O)CCC=O
InChIInChI=1S/C15H27NO4/c1-14(2)10-12(18)11-15(3,4)16(14)7-9-20-13(19)6-5-8-17/h8,12,18H,5-7,9-11H2,1-4H3
InChIKeyIMDCHDAPJKBSSW-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.52
Rot. Bonds6

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

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate (PubChem CID 87277156) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate
PubChem CID87277156
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate
SMILESCC1(C)CC(O)CC(C)(C)N1CCOC(=O)CCC=O
InChIInChI=1S/C15H27NO4/c1-14(2)10-12(18)11-15(3,4)16(14)7-9-20-13(19)6-5-8-17/h8,12,18H,5-7,9-11H2,1-4H3
InChIKeyIMDCHDAPJKBSSW-UHFFFAOYSA-N
XLogP1.52
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.52
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 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate (CID 87277156) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate is CC1(C)CC(O)CC(C)(C)N1CCOC(=O)CCC=O.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate?
The InChIKey is IMDCHDAPJKBSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2)10-12(18)11-15(3,4)16(14)7-9-20-13(19)6-5-8-17/h8,12,18H,5-7,9-11H2,1-4H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxobutanoate has a molecular weight of 285.38 g/mol, XLogP of 1.52, 6 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 4-oxobutanoate is sourced from PubChem (CID 87277156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).