1-(2,6-dimethoxypiperidin-1-yl)ethanone

C9H17NO3 — CID 21322863

IUPAC1-(2,6-dimethoxypiperidin-1-yl)ethanone
SMILESCOC1CCCC(OC)N1C(C)=O
InChIInChI=1S/C9H17NO3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h8-9H,4-6H2,1-3H3
InChIKeyIJEHMUDMMZMUCG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.96
Rot. Bonds2

About 1-(2,6-dimethoxypiperidin-1-yl)ethanone

1-(2,6-dimethoxypiperidin-1-yl)ethanone (PubChem CID 21322863) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2,6-dimethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxypiperidin-1-yl)ethanone
PubChem CID21322863
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-(2,6-dimethoxypiperidin-1-yl)ethanone
SMILESCOC1CCCC(OC)N1C(C)=O
InChIInChI=1S/C9H17NO3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h8-9H,4-6H2,1-3H3
InChIKeyIJEHMUDMMZMUCG-UHFFFAOYSA-N
XLogP0.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]ethanone
CID 18644989
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
methyl 1-acetyl-3-oxopiperidine-2-carboxylate
CID 82397953
methyl (2S,3aS,7aS)-1-acetyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 132942864
(5S,8aR)-5-methoxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11829854
3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
CID 12710759
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
methyl (3R,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate
CID 97358975
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
(2S,5R)-1-acetyl-6-methoxy-5-methylpiperidine-2-carboxylic acid
CID 57031430
methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
CID 84659219

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethoxypiperidin-1-yl)ethanone (CID 21322863) is 1-(2,6-dimethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethoxypiperidin-1-yl)ethanone is COC1CCCC(OC)N1C(C)=O.
What is the InChIKey of 1-(2,6-dimethoxypiperidin-1-yl)ethanone?
The InChIKey is IJEHMUDMMZMUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h8-9H,4-6H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxypiperidin-1-yl)ethanone?
1-(2,6-dimethoxypiperidin-1-yl)ethanone has a molecular weight of 187.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 21322863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).