2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane

C10H20F2N2O — CID 142306583

IUPAC2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
SMILESCCC.NCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2N2O.C3H8/c8-7(9)1-3-11(4-2-7)6(12)5-10;1-3-2/h1-5,10H2;3H2,1-2H3
InChIKeyFKUQZUMWVFOJNX-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.62
Rot. Bonds1

About 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane

2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane (PubChem CID 142306583) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane.

Molecular Properties

Compound Name2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
PubChem CID142306583
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
SMILESCCC.NCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2N2O.C3H8/c8-7(9)1-3-11(4-2-7)6(12)5-10;1-3-2/h1-5,10H2;3H2,1-2H3
InChIKeyFKUQZUMWVFOJNX-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
1-(4,4-difluoropiperidin-1-yl)butan-1-one;3-methylbutan-2-ol
CID 164604907
3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 116991070
bis(4,4-difluoropiperidin-1-yl)methanone
CID 140517091
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 130681510
4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 116991077
1-(4,4-difluoropiperidin-1-yl)-3-methylpentane-1,2-dione
CID 130457668
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 175321158
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane?
The IUPAC name of 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane (CID 142306583) is 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane.
What is the SMILES notation for 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane?
The canonical SMILES for 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane is CCC.NCC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane?
The InChIKey is FKUQZUMWVFOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O.C3H8/c8-7(9)1-3-11(4-2-7)6(12)5-10;1-3-2/h1-5,10H2;3H2,1-2H3.
What are the key properties of 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane?
2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane has a molecular weight of 222.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane is sourced from PubChem (CID 142306583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).