1-(4-ethoxypiperidin-1-yl)ethanone

C9H17NO2 — CID 53016297

IUPAC1-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(C(C)=O)CC1
InChIInChI=1S/C9H17NO2/c1-3-12-9-4-6-10(7-5-9)8(2)11/h9H,3-7H2,1-2H3
InChIKeyULMKHKJJVDXAJV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About 1-(4-ethoxypiperidin-1-yl)ethanone

1-(4-ethoxypiperidin-1-yl)ethanone (PubChem CID 53016297) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)ethanone
PubChem CID53016297
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(C(C)=O)CC1
InChIInChI=1S/C9H17NO2/c1-3-12-9-4-6-10(7-5-9)8(2)11/h9H,3-7H2,1-2H3
InChIKeyULMKHKJJVDXAJV-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-1-(piperidin-1-yl)propan-1-one
CID 15751929
Methyl 4-methoxypiperidine-1-carboxylate
CID 25198866
1-Piperidinecarboxylic acid, isopropyl ester
CID 239243
1-{4-[(1-Propionyl-4-piperidyl)oxy]piperidino}-1-propanone
CID 91916304
1-Acetylpiperidin-4-YL acetate
CID 20644464
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methoxypiperidin-1-yl)ethan-1-one
CID 134827899
1-Piperidinecarboxylic acid-1-methylpropylester
CID 127537407
1-(2,6-Dimethylmorpholin-4-yl)pentan-1-one
CID 304074
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716
2,2,2-Trifluoro-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 88915727

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)ethanone (CID 53016297) is 1-(4-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)ethanone is CCOC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)ethanone?
The InChIKey is ULMKHKJJVDXAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9-4-6-10(7-5-9)8(2)11/h9H,3-7H2,1-2H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)ethanone?
1-(4-ethoxypiperidin-1-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 53016297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).