4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate

C34H64N2O6 — CID 156550746

IUPAC4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCCCCCCCCCCON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(OCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H64N2O6/c1-11-13-14-15-16-17-18-19-22-40-36-33(7,8)25-28(26-34(36,9)10)42-30(38)21-20-29(37)41-27-23-31(3,4)35(39-12-2)32(5,6)24-27/h27-28H,11-26H2,1-10H3
InChIKeyDSFJNBJIVVTIAZ-UHFFFAOYSA-N
MW596.89 g/mol
LogP7.92
Rot. Bonds17

About 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate

4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate (PubChem CID 156550746) has the molecular formula C34H64N2O6 and a molecular weight of 596.89 g/mol. Its IUPAC name is 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate.

Molecular Properties

Compound Name4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
PubChem CID156550746
Molecular FormulaC34H64N2O6
Molecular Weight596.89 g/mol
Exact Mass596.48
IUPAC Name4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
SMILESCCCCCCCCCCON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(OCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C34H64N2O6/c1-11-13-14-15-16-17-18-19-22-40-36-33(7,8)25-28(26-34(36,9)10)42-30(38)21-20-29(37)41-27-23-31(3,4)35(39-12-2)32(5,6)24-27/h27-28H,11-26H2,1-10H3
InChIKeyDSFJNBJIVVTIAZ-UHFFFAOYSA-N
XLogP7.92
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.89
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
bis[1-(12-hydroxydodecoxy)-2,2,6,6-tetramethylpiperidin-4-yl] decanedioate;tributylstannane
CID 159751289
10-O-(2,2,6,6-tetramethyl-1-octa-1,3,5,7-tetraynoxypiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
CID 22969584
bis(2,2,6,6-tetrakis-decyl-1-octoxypiperidin-4-yl) decanedioate
CID 150064003
(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) 9-(6,6,8,8-tetramethyl-7-octoxy-1,2-dioxa-7-azaspiro[3.5]nonan-3-yl)nonanoate
CID 59518528
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
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
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798

Frequently Asked Questions

What is the IUPAC name of 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The IUPAC name of 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate (CID 156550746) is 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate.
What is the SMILES notation for 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The canonical SMILES for 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate is CCCCCCCCCCON1C(C)(C)CC(OC(=O)CCC(=O)OC2CC(C)(C)N(OCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
The InChIKey is DSFJNBJIVVTIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N2O6/c1-11-13-14-15-16-17-18-19-22-40-36-33(7,8)25-28(26-34(36,9)10)42-30(38)21-20-29(37)41-27-23-31(3,4)35(39-12-2)32(5,6)24-27/h27-28H,11-26H2,1-10H3.
What are the key properties of 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate?
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate has a molecular weight of 596.89 g/mol, XLogP of 7.92, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate is sourced from PubChem (CID 156550746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).