2-(diethylamino)-1-piperidin-4-ylethanone

C11H22N2O — CID 115006957

IUPAC2-(diethylamino)-1-piperidin-4-ylethanone
SMILESCCN(CC)CC(=O)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-3-13(4-2)9-11(14)10-5-7-12-8-6-10/h10,12H,3-9H2,1-2H3
InChIKeyXJFXTYXRDFPNCV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.90
Rot. Bonds5

About 2-(diethylamino)-1-piperidin-4-ylethanone

2-(diethylamino)-1-piperidin-4-ylethanone (PubChem CID 115006957) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(diethylamino)-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-piperidin-4-ylethanone
PubChem CID115006957
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(diethylamino)-1-piperidin-4-ylethanone
SMILESCCN(CC)CC(=O)C1CCNCC1
InChIInChI=1S/C11H22N2O/c1-3-13(4-2)9-11(14)10-5-7-12-8-6-10/h10,12H,3-9H2,1-2H3
InChIKeyXJFXTYXRDFPNCV-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-4-yl)-2-(diethylamino)ethanone
CID 115007037
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
1-cyclohexyl-2-[cyclopropylmethyl(ethyl)amino]ethanone
CID 104750812
2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716882
1-cyclohexyl-2-[ethyl(2-methylpropyl)amino]ethanone
CID 104750015
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
1-cyclohexyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 104750584
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 54872869
N-cyclopentyl-N-ethylpiperidine-4-carboxamide;hydrochloride
CID 119288620
4-methyl-1-piperidin-4-ylpent-4-en-1-one
CID 114477846
1-piperidin-4-ylethanone
CID 2723764

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-piperidin-4-ylethanone?
The IUPAC name of 2-(diethylamino)-1-piperidin-4-ylethanone (CID 115006957) is 2-(diethylamino)-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-(diethylamino)-1-piperidin-4-ylethanone?
The canonical SMILES for 2-(diethylamino)-1-piperidin-4-ylethanone is CCN(CC)CC(=O)C1CCNCC1.
What is the InChIKey of 2-(diethylamino)-1-piperidin-4-ylethanone?
The InChIKey is XJFXTYXRDFPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-13(4-2)9-11(14)10-5-7-12-8-6-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-piperidin-4-ylethanone?
2-(diethylamino)-1-piperidin-4-ylethanone has a molecular weight of 198.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-piperidin-4-ylethanone is sourced from PubChem (CID 115006957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).