1-(4-propoxypiperidin-1-yl)ethanone

C10H19NO2 — CID 53016298

IUPAC1-(4-propoxypiperidin-1-yl)ethanone
SMILESCCCOC1CCN(C(C)=O)CC1
InChIInChI=1S/C10H19NO2/c1-3-8-13-10-4-6-11(7-5-10)9(2)12/h10H,3-8H2,1-2H3
InChIKeyQPCMAGOVWUFEHH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

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

1-(4-propoxypiperidin-1-yl)ethanone (PubChem CID 53016298) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-propoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-propoxypiperidin-1-yl)ethanone
PubChem CID53016298
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4-propoxypiperidin-1-yl)ethanone
SMILESCCCOC1CCN(C(C)=O)CC1
InChIInChI=1S/C10H19NO2/c1-3-8-13-10-4-6-11(7-5-10)9(2)12/h10H,3-8H2,1-2H3
InChIKeyQPCMAGOVWUFEHH-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-propoxypiperidin-1-yl)ethanone (CID 53016298) is 1-(4-propoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-propoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-propoxypiperidin-1-yl)ethanone is CCCOC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-propoxypiperidin-1-yl)ethanone?
The InChIKey is QPCMAGOVWUFEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8-13-10-4-6-11(7-5-10)9(2)12/h10H,3-8H2,1-2H3.
What are the key properties of 1-(4-propoxypiperidin-1-yl)ethanone?
1-(4-propoxypiperidin-1-yl)ethanone has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 53016298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).