2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone

C13H23NO2 — CID 104749901

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESCC1CC(C)CN(CC(=O)C2CCOC2)C1
InChIInChI=1S/C13H23NO2/c1-10-5-11(2)7-14(6-10)8-13(15)12-3-4-16-9-12/h10-12H,3-9H2,1-2H3
InChIKeyJBISBVGTJBWPRC-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.57
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone

2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 104749901) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone
PubChem CID104749901
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESCC1CC(C)CN(CC(=O)C2CCOC2)C1
InChIInChI=1S/C13H23NO2/c1-10-5-11(2)7-14(6-10)8-13(15)12-3-4-16-9-12/h10-12H,3-9H2,1-2H3
InChIKeyJBISBVGTJBWPRC-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone (CID 104749901) is 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone is CC1CC(C)CN(CC(=O)C2CCOC2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is JBISBVGTJBWPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-5-11(2)7-14(6-10)8-13(15)12-3-4-16-9-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 104749901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).