1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone

C10H18F2N2O — CID 116991081

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O/c1-8(2)13-7-9(15)14-5-3-10(11,12)4-6-14/h8,13H,3-7H2,1-2H3
InChIKeyVGOCQPBOQXXIGA-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.24
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone

1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 116991081) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone
PubChem CID116991081
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O/c1-8(2)13-7-9(15)14-5-3-10(11,12)4-6-14/h8,13H,3-7H2,1-2H3
InChIKeyVGOCQPBOQXXIGA-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone (CID 116991081) is 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is VGOCQPBOQXXIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-8(2)13-7-9(15)14-5-3-10(11,12)4-6-14/h8,13H,3-7H2,1-2H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 220.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 116991081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).