chempirical

Methyl 1,2,2,6,6-pentamethyl-4-piperidinyl sebacate

C21H39NO4CAS 82919-37-7369.55 g/mol

Open in Covalent MOL file
OOOON
EsterTertiary amine

Properties

Molecular formula
C21H39NO4
Molar mass
369.55 g/mol
Exact mass
369.2879 Da
logP
4.47Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
10

Identifiers

CAS number
82919-37-7
SMILES
COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIKey
OTCWVYFQGYOYJO-UHFFFAOYSA-N
InChI
InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Decanedioic acid, 1-methyl 10-(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
  • Decanedioic acid, methyl 1,2,2,6,6-pentamethyl-4-piperidinyl ester
  • Methyl 1,2,2,6,6-pentamethyl-4-piperidiyl sebacate
  • Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate
  • BLS 292

Work with Methyl 1,2,2,6,6-pentamethyl-4-piperidinyl sebacate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(1,2,2,6,6-pentamethyl-4-piperidyl) decanedioate41556-26-786 % similar Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate52829-07-955 % similar 1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl sebacate2516-92-951 % similar Dimethyl sebacate106-79-650 % similar 1,12-Dimethyl dodecanedioate1731-79-950 % similar Dimethyl pimelate1732-08-750 % similar Dimethyl suberate1732-09-850 % similar Dimethyl azelate1732-10-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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