4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one

C11H20F2N2O — CID 116991077

IUPAC4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one
SMILESCC(C)(CCN)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O/c1-10(2,3-6-14)9(16)15-7-4-11(12,13)5-8-15/h3-8,14H2,1-2H3
InChIKeyLHSOMFRCXZXYLT-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.62
Rot. Bonds3

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

4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one (PubChem CID 116991077) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one
PubChem CID116991077
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one
SMILESCC(C)(CCN)C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H20F2N2O/c1-10(2,3-6-14)9(16)15-7-4-11(12,13)5-8-15/h3-8,14H2,1-2H3
InChIKeyLHSOMFRCXZXYLT-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 116991070
1-(4,4-difluoropiperidin-1-yl)-2,2,2-trifluoroethanone
CID 45081156
2-amino-1-(4,4-difluoropiperidin-1-yl)ethanone;propane
CID 142306583
3-amino-1-(3,3-difluoropyrrolidin-1-yl)-2,2-difluoropropan-1-one
CID 130706008
4-amino-2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 114285671
bis(4,4-difluoropiperidin-1-yl)methanone
CID 140517091
2,2,4-trimethyl-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)pentan-1-one
CID 170031553
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 113341327
2-[4-(3-amino-2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 113307645
3-amino-1-(6-azaspiro[3.4]octan-6-yl)-2,2-dimethylpropan-1-one
CID 119788804
4-amino-2,2-dimethylbutanamide
CID 23366310
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one?
The IUPAC name of 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one (CID 116991077) is 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one.
What is the SMILES notation for 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one?
The canonical SMILES for 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one is CC(C)(CCN)C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one?
The InChIKey is LHSOMFRCXZXYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-10(2,3-6-14)9(16)15-7-4-11(12,13)5-8-15/h3-8,14H2,1-2H3.
What are the key properties of 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one?
4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one has a molecular weight of 234.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-one is sourced from PubChem (CID 116991077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).