1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione

C22H40N2O2 — CID 90092167

IUPAC1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione
SMILESCC1(C)CCCC(C)(C)N1C(=O)CCC(=O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H40N2O2/c1-19(2)13-9-14-20(3,4)23(19)17(25)11-12-18(26)24-21(5,6)15-10-16-22(24,7)8/h9-16H2,1-8H3
InChIKeyWCUNSIVCTGBWKY-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.91
Rot. Bonds3

About 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione

1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione (PubChem CID 90092167) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione
PubChem CID90092167
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione
SMILESCC1(C)CCCC(C)(C)N1C(=O)CCC(=O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C22H40N2O2/c1-19(2)13-9-14-20(3,4)23(19)17(25)11-12-18(26)24-21(5,6)15-10-16-22(24,7)8/h9-16H2,1-8H3
InChIKeyWCUNSIVCTGBWKY-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione?
The IUPAC name of 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione (CID 90092167) is 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione?
The canonical SMILES for 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione is CC1(C)CCCC(C)(C)N1C(=O)CCC(=O)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione?
The InChIKey is WCUNSIVCTGBWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-19(2)13-9-14-20(3,4)23(19)17(25)11-12-18(26)24-21(5,6)15-10-16-22(24,7)8/h9-16H2,1-8H3.
What are the key properties of 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione?
1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione has a molecular weight of 364.57 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,2,6,6-tetramethylpiperidin-1-yl)butane-1,4-dione is sourced from PubChem (CID 90092167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).