1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone

C17H33NO — CID 22754597

IUPAC1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)C(C)CC(C)C(CC)(CC)N1C(C)=O
InChIInChI=1S/C17H33NO/c1-8-16(9-2)13(5)12-14(6)17(10-3,11-4)18(16)15(7)19/h13-14H,8-12H2,1-7H3
InChIKeyRJJZEUPLJXSVON-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.63
Rot. Bonds4

About 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone

1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 22754597) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID22754597
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)C(C)CC(C)C(CC)(CC)N1C(C)=O
InChIInChI=1S/C17H33NO/c1-8-16(9-2)13(5)12-14(6)17(10-3,11-4)18(16)15(7)19/h13-14H,8-12H2,1-7H3
InChIKeyRJJZEUPLJXSVON-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone (CID 22754597) is 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone is CCC1(CC)C(C)CC(C)C(CC)(CC)N1C(C)=O.
What is the InChIKey of 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RJJZEUPLJXSVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-8-16(9-2)13(5)12-14(6)17(10-3,11-4)18(16)15(7)19/h13-14H,8-12H2,1-7H3.
What are the key properties of 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone?
1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 267.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetraethyl-3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 22754597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).