1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

C13H22F2N2O2 — CID 70906987

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)N2CCC(F)(F)CC2)CCO1
InChIInChI=1S/C13H22F2N2O2/c1-12(2)10-16(7-8-19-12)9-11(18)17-5-3-13(14,15)4-6-17/h3-10H2,1-2H3
InChIKeyVPYWLWNXYASGLM-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.35
Rot. Bonds2

About 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone

1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (PubChem CID 70906987) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
PubChem CID70906987
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)CN(CC(=O)N2CCC(F)(F)CC2)CCO1
InChIInChI=1S/C13H22F2N2O2/c1-12(2)10-16(7-8-19-12)9-11(18)17-5-3-13(14,15)4-6-17/h3-10H2,1-2H3
InChIKeyVPYWLWNXYASGLM-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone (CID 70906987) is 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is CC1(C)CN(CC(=O)N2CCC(F)(F)CC2)CCO1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
The InChIKey is VPYWLWNXYASGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-12(2)10-16(7-8-19-12)9-11(18)17-5-3-13(14,15)4-6-17/h3-10H2,1-2H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone has a molecular weight of 276.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 70906987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).