2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone

C15H28N2O — CID 64676833

IUPAC2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2(N)CCCCC2)C(C)C1
InChIInChI=1S/C15H28N2O/c1-12-6-9-17(13(2)10-12)14(18)11-15(16)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyYYJIFHGARUOJIK-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.69
Rot. Bonds2

About 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone

2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 64676833) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone
PubChem CID64676833
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2(N)CCCCC2)C(C)C1
InChIInChI=1S/C15H28N2O/c1-12-6-9-17(13(2)10-12)14(18)11-15(16)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3
InChIKeyYYJIFHGARUOJIK-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone (CID 64676833) is 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CC2(N)CCCCC2)C(C)C1.
What is the InChIKey of 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is YYJIFHGARUOJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-6-9-17(13(2)10-12)14(18)11-15(16)7-4-3-5-8-15/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone?
2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 252.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-1-(2,4-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 64676833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).