4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate

C16H29NO5 — CID 18338386

IUPAC4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO5/c1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-14(20)7-6-13(19)21-5/h12,18H,6-11H2,1-5H3
InChIKeyFTVFSZDHKSMGIW-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.50
Rot. Bonds6

About 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate

4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate (PubChem CID 18338386) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate.

Molecular Properties

Compound Name4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
PubChem CID18338386
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C16H29NO5/c1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-14(20)7-6-13(19)21-5/h12,18H,6-11H2,1-5H3
InChIKeyFTVFSZDHKSMGIW-UHFFFAOYSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
The IUPAC name of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate (CID 18338386) is 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate.
What is the SMILES notation for 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
The canonical SMILES for 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate is COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
The InChIKey is FTVFSZDHKSMGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-14(20)7-6-13(19)21-5/h12,18H,6-11H2,1-5H3.
What are the key properties of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate?
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate has a molecular weight of 315.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate is sourced from PubChem (CID 18338386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).