2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate

C18H33NO5 — CID 163999609

IUPAC2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate
SMILESCOC(C)C(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C18H33NO5/c1-13(23-6)15(21)7-8-16(22)24-10-9-19-17(2,3)11-14(20)12-18(19,4)5/h13-14,20H,7-12H2,1-6H3
InChIKeyUHULGFMSGNIJCF-UHFFFAOYSA-N
MW343.46 g/mol
LogP1.93
Rot. Bonds8

About 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate

2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate (PubChem CID 163999609) has the molecular formula C18H33NO5 and a molecular weight of 343.46 g/mol. Its IUPAC name is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate.

Molecular Properties

Compound Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate
PubChem CID163999609
Molecular FormulaC18H33NO5
Molecular Weight343.46 g/mol
Exact Mass343.24
IUPAC Name2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate
SMILESCOC(C)C(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C18H33NO5/c1-13(23-6)15(21)7-8-16(22)24-10-9-19-17(2,3)11-14(20)12-18(19,4)5/h13-14,20H,7-12H2,1-6H3
InChIKeyUHULGFMSGNIJCF-UHFFFAOYSA-N
XLogP1.93
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate?
The IUPAC name of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate (CID 163999609) is 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate.
What is the SMILES notation for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate?
The canonical SMILES for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate is COC(C)C(=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 5-methoxy-4-oxohexanoate?
The InChIKey is UHULGFMSGNIJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO5/c1-13(23-6)15(21)7-8-16(22)24-10-9-19-17(2,3)11-14(20)12-18(19,4)5/h13-14,20H,7-12H2,1-6H3.
What are the key properties of 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate?
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate has a molecular weight of 343.46 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methoxy-4-oxohexanoate is sourced from PubChem (CID 163999609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).