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

C16H29NO4 — CID 59950285

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO4/c1-12(18)6-7-14(20)21-9-8-17-15(2,3)10-13(19)11-16(17,4)5/h13,19H,6-11H2,1-5H3
InChIKeyVHLZKUMXLOPALO-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.91
Rot. Bonds6

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

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate (PubChem CID 59950285) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
PubChem CID59950285
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO4/c1-12(18)6-7-14(20)21-9-8-17-15(2,3)10-13(19)11-16(17,4)5/h13,19H,6-11H2,1-5H3
InChIKeyVHLZKUMXLOPALO-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-oxopentanoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate (CID 59950285) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate is CC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?
The InChIKey is VHLZKUMXLOPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(18)6-7-14(20)21-9-8-17-15(2,3)10-13(19)11-16(17,4)5/h13,19H,6-11H2,1-5H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate has a molecular weight of 299.41 g/mol, XLogP of 1.91, 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-oxopentanoate is sourced from PubChem (CID 59950285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).