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

C15H28N2O — CID 176578739

IUPAC2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)C(N)C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2)8-10-17(11-9-15)14(18)13(16)12-6-4-3-5-7-12/h12-13H,3-11,16H2,1-2H3
InChIKeyDTEWGBNEMQMYDZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds2

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

2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 176578739) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
PubChem CID176578739
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)C(N)C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2)8-10-17(11-9-15)14(18)13(16)12-6-4-3-5-7-12/h12-13H,3-11,16H2,1-2H3
InChIKeyDTEWGBNEMQMYDZ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
(2R)-2-amino-2-cyclopropyl-1-(3,3-dimethylpyrrolidin-1-yl)ethanone;ethane
CID 144942279
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
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120788464
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 87844260
2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 75031187
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
CID 142261867
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
CID 16755147
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone (CID 176578739) is 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone is CC1(C)CCN(C(=O)C(N)C2CCCCC2)CC1.
What is the InChIKey of 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is DTEWGBNEMQMYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)8-10-17(11-9-15)14(18)13(16)12-6-4-3-5-7-12/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone?
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.54, 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-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 176578739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).