(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate

C32H62N2O3 — CID 166830264

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
SMILESCCC(CCCCCCCCOC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C32H62N2O3/c1-12-25(28(35)37-27-23-31(6,7)34(11)32(8,9)24-27)19-17-15-13-14-16-18-20-36-26-21-29(2,3)33(10)30(4,5)22-26/h25-27H,12-24H2,1-11H3
InChIKeyXAJOFUXYTPENRO-UHFFFAOYSA-N
MW522.86 g/mol
LogP7.61
Rot. Bonds13

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate (PubChem CID 166830264) has the molecular formula C32H62N2O3 and a molecular weight of 522.86 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
PubChem CID166830264
Molecular FormulaC32H62N2O3
Molecular Weight522.86 g/mol
Exact Mass522.48
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate
SMILESCCC(CCCCCCCCOC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C32H62N2O3/c1-12-25(28(35)37-27-23-31(6,7)34(11)32(8,9)24-27)19-17-15-13-14-16-18-20-36-26-21-29(2,3)33(10)30(4,5)22-26/h25-27H,12-24H2,1-11H3
InChIKeyXAJOFUXYTPENRO-UHFFFAOYSA-N
XLogP7.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.86
LogP ≤ 57.61
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) 2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 167105370
CID 140704439
CID 140704439
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]propanedioate
CID 126739205
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18715866
10-O-(2,2,6,6-tetramethyl-1-azabicyclo[2.2.0]hexan-4-yl) 1-O-(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 122433569
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
[1-(2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylundecylidene]oxidanium
CID 153184887
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
CID 70587590

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate (CID 166830264) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate is CCC(CCCCCCCCOC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate?
The InChIKey is XAJOFUXYTPENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N2O3/c1-12-25(28(35)37-27-23-31(6,7)34(11)32(8,9)24-27)19-17-15-13-14-16-18-20-36-26-21-29(2,3)33(10)30(4,5)22-26/h25-27H,12-24H2,1-11H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate has a molecular weight of 522.86 g/mol, XLogP of 7.61, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethyl-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoate is sourced from PubChem (CID 166830264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).