1-(3,3-diethylpiperidin-1-yl)ethanone

C11H21NO — CID 89177702

IUPAC1-(3,3-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCCN(C(C)=O)C1
InChIInChI=1S/C11H21NO/c1-4-11(5-2)7-6-8-12(9-11)10(3)13/h4-9H2,1-3H3
InChIKeyLXUSQIZTBZVEPB-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.44
Rot. Bonds2

About 1-(3,3-diethylpiperidin-1-yl)ethanone

1-(3,3-diethylpiperidin-1-yl)ethanone (PubChem CID 89177702) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,3-diethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-diethylpiperidin-1-yl)ethanone
PubChem CID89177702
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,3-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCCN(C(C)=O)C1
InChIInChI=1S/C11H21NO/c1-4-11(5-2)7-6-8-12(9-11)10(3)13/h4-9H2,1-3H3
InChIKeyLXUSQIZTBZVEPB-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 163370495
CID 163370495
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
1-(azetidin-1-yl)ethanone
CID 14061673
1-(2-azaspiro[5.5]undecan-2-yl)ethanone
CID 18685206
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
CID 145315746
1-(3-fluoro-3-methylsulfanylpiperidin-1-yl)ethanone
CID 167008492
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde
CID 170137640
3,3-diethyl-N-methylpyrrolidine-1-carboxamide
CID 115686572
tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 16723836

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3,3-diethylpiperidin-1-yl)ethanone (CID 89177702) is 1-(3,3-diethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,3-diethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3,3-diethylpiperidin-1-yl)ethanone is CCC1(CC)CCCN(C(C)=O)C1.
What is the InChIKey of 1-(3,3-diethylpiperidin-1-yl)ethanone?
The InChIKey is LXUSQIZTBZVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(5-2)7-6-8-12(9-11)10(3)13/h4-9H2,1-3H3.
What are the key properties of 1-(3,3-diethylpiperidin-1-yl)ethanone?
1-(3,3-diethylpiperidin-1-yl)ethanone has a molecular weight of 183.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 89177702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).