1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate

C19H35NO4 — CID 164740961

IUPAC1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
SMILESCOC(=O)CCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H35NO4/c1-18(2)13-15(14-19(3,4)20(18)5)24-17(22)12-10-8-7-9-11-16(21)23-6/h15H,7-14H2,1-6H3
InChIKeyFOVXHAVXVALOFZ-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.69
Rot. Bonds8

About 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate

1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate (PubChem CID 164740961) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate.

Molecular Properties

Compound Name1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
PubChem CID164740961
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
SMILESCOC(=O)CCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H35NO4/c1-18(2)13-15(14-19(3,4)20(18)5)24-17(22)12-10-8-7-9-11-16(21)23-6/h15H,7-14H2,1-6H3
InChIKeyFOVXHAVXVALOFZ-UHFFFAOYSA-N
XLogP3.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-10-oxodecanoate;(2,2,6,6-tetramethylpiperidin-4-yl) 10-oxo-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoate
CID 160634307
10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
CID 22255858
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
bis(2,6-ditert-butyl-1,2,6-trimethylpiperidin-4-yl) decanedioate
CID 54027959

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate?
The IUPAC name of 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate (CID 164740961) is 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate.
What is the SMILES notation for 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate?
The canonical SMILES for 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate is COC(=O)CCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate?
The InChIKey is FOVXHAVXVALOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-18(2)13-15(14-19(3,4)20(18)5)24-17(22)12-10-8-7-9-11-16(21)23-6/h15H,7-14H2,1-6H3.
What are the key properties of 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate?
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate has a molecular weight of 341.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate is sourced from PubChem (CID 164740961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).