3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one

C10H18F2N2O — CID 116991070

IUPAC3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O/c1-9(2,7-13)8(15)14-5-3-10(11,12)4-6-14/h3-7,13H2,1-2H3
InChIKeyMLWSWIZUJPYDPX-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.23
Rot. Bonds2

About 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one

3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 116991070) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID116991070
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2O/c1-9(2,7-13)8(15)14-5-3-10(11,12)4-6-14/h3-7,13H2,1-2H3
InChIKeyMLWSWIZUJPYDPX-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one (CID 116991070) is 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is MLWSWIZUJPYDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-9(2,7-13)8(15)14-5-3-10(11,12)4-6-14/h3-7,13H2,1-2H3.
What are the key properties of 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 116991070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).