1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone

C15H27NO — CID 104749900

IUPAC1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(CC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-12-8-13(2)10-16(9-12)11-15(17)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3
InChIKeyVLZOZMRRJDVOLA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds3

About 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone

1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 104749900) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID104749900
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(CC(=O)C2CCCCC2)C1
InChIInChI=1S/C15H27NO/c1-12-8-13(2)10-16(9-12)11-15(17)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3
InChIKeyVLZOZMRRJDVOLA-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 104750922
1-cyclopentyl-2-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 104750832
2-(3,5-dimethylpiperidin-1-yl)-1-[4-[hydroxy(oxido)amino]cyclohexyl]ethanone
CID 163140990
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethanone
CID 63914299
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
1-cyclohexyl-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 104751072
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
1-cyclopentyl-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104751088
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957
2-(4-tert-butylpiperazin-1-yl)-1-cyclopentylethanone
CID 113448723

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone (CID 104749900) is 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(CC(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is VLZOZMRRJDVOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12-8-13(2)10-16(9-12)11-15(17)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone?
1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 237.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 104749900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).