2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone

C13H22F2N2O — CID 10106678

IUPAC2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESNC(C(=O)N1CCC(F)(F)CC1)C1CCCCC1
InChIInChI=1S/C13H22F2N2O/c14-13(15)6-8-17(9-7-13)12(18)11(16)10-4-2-1-3-5-10/h10-11H,1-9,16H2
InChIKeyCTHFHOZDVQKKGT-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.15
Rot. Bonds2

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

2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone (PubChem CID 10106678) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
PubChem CID10106678
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
SMILESNC(C(=O)N1CCC(F)(F)CC1)C1CCCCC1
InChIInChI=1S/C13H22F2N2O/c14-13(15)6-8-17(9-7-13)12(18)11(16)10-4-2-1-3-5-10/h10-11H,1-9,16H2
InChIKeyCTHFHOZDVQKKGT-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 87844260
1-[2-amino-2-(4,4-difluorocyclohexyl)acetyl]pyrrolidine-3-carboxylic acid
CID 166305545
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-(oxan-4-yl)ethanone
CID 120791664
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 75031187
(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
CID 142261867
[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
CID 16755147
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 100633380
7-bicyclo[4.1.0]heptanyl-(4,4-difluoropiperidin-1-yl)methanone
CID 119040064
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
CID 54342088

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone (CID 10106678) is 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone is NC(C(=O)N1CCC(F)(F)CC1)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone?
The InChIKey is CTHFHOZDVQKKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c14-13(15)6-8-17(9-7-13)12(18)11(16)10-4-2-1-3-5-10/h10-11H,1-9,16H2.
What are the key properties of 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone?
2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone has a molecular weight of 260.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 10106678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).