4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate

C34H62N2O8 — CID 22900076

IUPAC4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
SMILESCOCCCC(=O)OCC1CC(C)(C)N(CCOC(=O)CCC(=O)OCCN2C(C)(C)CC(COC)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C34H62N2O8/c1-31(2)20-26(24-41-10)21-32(3,4)35(31)15-18-42-29(38)13-14-30(39)43-19-16-36-33(5,6)22-27(23-34(36,7)8)25-44-28(37)12-11-17-40-9/h26-27H,11-25H2,1-10H3
InChIKeyXSZPSQOUQKIYPW-UHFFFAOYSA-N
MW626.88 g/mol
LogP5.01
Rot. Bonds17

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

4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate (PubChem CID 22900076) has the molecular formula C34H62N2O8 and a molecular weight of 626.88 g/mol. Its IUPAC name is 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate.

Molecular Properties

Compound Name4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
PubChem CID22900076
Molecular FormulaC34H62N2O8
Molecular Weight626.88 g/mol
Exact Mass626.45
IUPAC Name4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
SMILESCOCCCC(=O)OCC1CC(C)(C)N(CCOC(=O)CCC(=O)OCCN2C(C)(C)CC(COC)CC2(C)C)C(C)(C)C1
InChIInChI=1S/C34H62N2O8/c1-31(2)20-26(24-41-10)21-32(3,4)35(31)15-18-42-29(38)13-14-30(39)43-19-16-36-33(5,6)22-27(23-34(36,7)8)25-44-28(37)12-11-17-40-9/h26-27H,11-25H2,1-10H3
InChIKeyXSZPSQOUQKIYPW-UHFFFAOYSA-N
XLogP5.01
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.88
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate;molecular hydrogen
CID 159289923
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
CID 91484074
4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
CID 151524547
2-(4-tert-butyl-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 5-methyl-4-oxohexanoate
CID 123960864
2-methoxyethyl 5-methoxypentanoate
CID 58454735
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 123159299
2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-methylhept-5-ynoate
CID 146366977
(3-methyloxetan-3-yl)methyl 4-methoxybutanoate
CID 59196931
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
CID 123594724
1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 19905643
methyl 4-methoxybutanoate
CID 542317
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate?
The IUPAC name of 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate (CID 22900076) is 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate.
What is the SMILES notation for 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate?
The canonical SMILES for 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate is COCCCC(=O)OCC1CC(C)(C)N(CCOC(=O)CCC(=O)OCCN2C(C)(C)CC(COC)CC2(C)C)C(C)(C)C1.
What is the InChIKey of 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate?
The InChIKey is XSZPSQOUQKIYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62N2O8/c1-31(2)20-26(24-41-10)21-32(3,4)35(31)15-18-42-29(38)13-14-30(39)43-19-16-36-33(5,6)22-27(23-34(36,7)8)25-44-28(37)12-11-17-40-9/h26-27H,11-25H2,1-10H3.
What are the key properties of 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate?
4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate has a molecular weight of 626.88 g/mol, XLogP of 5.01, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate is sourced from PubChem (CID 22900076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).