1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone

C10H19NO2 — CID 83225181

IUPAC1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
SMILESCCOC1(C(C)=O)CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-4-13-10(9(2)12)5-7-11(3)8-6-10/h4-8H2,1-3H3
InChIKeyWLYKKRGDVOUFDN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds3

About 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone

1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone (PubChem CID 83225181) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
PubChem CID83225181
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
SMILESCCOC1(C(C)=O)CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-4-13-10(9(2)12)5-7-11(3)8-6-10/h4-8H2,1-3H3
InChIKeyWLYKKRGDVOUFDN-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone (CID 83225181) is 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone is CCOC1(C(C)=O)CCN(C)CC1.
What is the InChIKey of 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone?
The InChIKey is WLYKKRGDVOUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-10(9(2)12)5-7-11(3)8-6-10/h4-8H2,1-3H3.
What are the key properties of 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone?
1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 83225181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).