2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

C15H26F2N2O2 — CID 156799314

IUPAC2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)N2CCC(OC)CC2)CC1(F)F
InChIInChI=1S/C15H26F2N2O2/c1-3-12-4-7-18(11-15(12,16)17)10-14(20)19-8-5-13(21-2)6-9-19/h12-13H,3-11H2,1-2H3
InChIKeyVSOZEZVRNSONMU-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.99
Rot. Bonds4

About 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone

2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 156799314) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID156799314
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCCC1CCN(CC(=O)N2CCC(OC)CC2)CC1(F)F
InChIInChI=1S/C15H26F2N2O2/c1-3-12-4-7-18(11-15(12,16)17)10-14(20)19-8-5-13(21-2)6-9-19/h12-13H,3-11H2,1-2H3
InChIKeyVSOZEZVRNSONMU-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 156799314) is 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is CCC1CCN(CC(=O)N2CCC(OC)CC2)CC1(F)F.
What is the InChIKey of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is VSOZEZVRNSONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-3-12-4-7-18(11-15(12,16)17)10-14(20)19-8-5-13(21-2)6-9-19/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone?
2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 304.38 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 156799314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).