1-ethyl-6-methylpiperidin-3-one

C8H15NO — CID 566691

IUPAC1-ethyl-6-methylpiperidin-3-one
SMILESCCN1CC(=O)CCC1C
InChIInChI=1S/C8H15NO/c1-3-9-6-8(10)5-4-7(9)2/h7H,3-6H2,1-2H3
InChIKeyFZXRKWXCYQOFMV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds1

About 1-ethyl-6-methylpiperidin-3-one

1-ethyl-6-methylpiperidin-3-one (PubChem CID 566691) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-ethyl-6-methylpiperidin-3-one.

Molecular Properties

Compound Name1-ethyl-6-methylpiperidin-3-one
PubChem CID566691
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-ethyl-6-methylpiperidin-3-one
SMILESCCN1CC(=O)CCC1C
InChIInChI=1S/C8H15NO/c1-3-9-6-8(10)5-4-7(9)2/h7H,3-6H2,1-2H3
InChIKeyFZXRKWXCYQOFMV-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-6-methylpiperidin-3-one
CID 174899087
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
(3S,6S)-1-ethyl-6-methylpiperidine-3-carbonitrile
CID 118178666
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-one
CID 63610991
2,4,6,8,9,9a-hexahydro-1H-quinolizine-3,7-dione
CID 164802579
(5S)-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 152785079
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
ethane;1-ethyl-2-methylazepane
CID 145020951
1-ethyl-2-methylpyrrolidine;methanesulfonic acid
CID 175583828
ethene;(5R)-5-methyl-1-propylpyrrolidin-2-one
CID 145214159
1-butyl-2,5-dimethylpiperidine
CID 130702123
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylpiperidin-3-one?
The IUPAC name of 1-ethyl-6-methylpiperidin-3-one (CID 566691) is 1-ethyl-6-methylpiperidin-3-one.
What is the SMILES notation for 1-ethyl-6-methylpiperidin-3-one?
The canonical SMILES for 1-ethyl-6-methylpiperidin-3-one is CCN1CC(=O)CCC1C.
What is the InChIKey of 1-ethyl-6-methylpiperidin-3-one?
The InChIKey is FZXRKWXCYQOFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-6-8(10)5-4-7(9)2/h7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-6-methylpiperidin-3-one?
1-ethyl-6-methylpiperidin-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylpiperidin-3-one is sourced from PubChem (CID 566691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).