2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone

C14H26N2O — CID 62778099

IUPAC2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C14H26N2O/c1-11-6-8-16(9-7-11)14(17)10-12-4-2-3-5-13(12)15/h11-13H,2-10,15H2,1H3
InChIKeyHDJSXBGLRWLZFZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds2

About 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 62778099) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID62778099
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C14H26N2O/c1-11-6-8-16(9-7-11)14(17)10-12-4-2-3-5-13(12)15/h11-13H,2-10,15H2,1H3
InChIKeyHDJSXBGLRWLZFZ-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782399
2-(2-aminocyclohexyl)-1-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 62782730
2-(2-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63174996
2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62994159
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-aminocyclohexyl)ethanone
CID 79937510
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
CID 178190892
2-(2-aminocyclohexyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 55116461
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 62778099) is 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CC2CCCCC2N)CC1.
What is the InChIKey of 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is HDJSXBGLRWLZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-8-16(9-7-11)14(17)10-12-4-2-3-5-13(12)15/h11-13H,2-10,15H2,1H3.
What are the key properties of 2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 238.37 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-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62778099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).