3-(4-ethylcyclohexyl)piperidin-2-one

C13H23NO — CID 104679227

IUPAC3-(4-ethylcyclohexyl)piperidin-2-one
SMILESCCC1CCC(C2CCCNC2=O)CC1
InChIInChI=1S/C13H23NO/c1-2-10-5-7-11(8-6-10)12-4-3-9-14-13(12)15/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyUAAHPTXVSORYLZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.73
Rot. Bonds2

About 3-(4-ethylcyclohexyl)piperidin-2-one

3-(4-ethylcyclohexyl)piperidin-2-one (PubChem CID 104679227) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)piperidin-2-one.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)piperidin-2-one
PubChem CID104679227
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-(4-ethylcyclohexyl)piperidin-2-one
SMILESCCC1CCC(C2CCCNC2=O)CC1
InChIInChI=1S/C13H23NO/c1-2-10-5-7-11(8-6-10)12-4-3-9-14-13(12)15/h10-12H,2-9H2,1H3,(H,14,15)
InChIKeyUAAHPTXVSORYLZ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
3-cyclobutylpyrrolidin-2-one
CID 105428038
3-(2-oxopiperidin-4-yl)piperidin-2-one
CID 118294795
3-(3,5-dimethylcyclohexyl)azepan-2-one
CID 104679675
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
5-(4-ethylcyclohexyl)imidazolidine-2,4-dione;propane
CID 143588727
4-(4-ethylcyclohexyl)piperidine
CID 20603175
5-ethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one
CID 178068575
3-[(4-hydroxycyclohexyl)methyl]piperidin-2-one
CID 165460765
chromium;bis(ethylcyclopentane)
CID 91996240
ethane;3-methylazepan-2-one;propane
CID 142177771

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)piperidin-2-one?
The IUPAC name of 3-(4-ethylcyclohexyl)piperidin-2-one (CID 104679227) is 3-(4-ethylcyclohexyl)piperidin-2-one.
What is the SMILES notation for 3-(4-ethylcyclohexyl)piperidin-2-one?
The canonical SMILES for 3-(4-ethylcyclohexyl)piperidin-2-one is CCC1CCC(C2CCCNC2=O)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)piperidin-2-one?
The InChIKey is UAAHPTXVSORYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-10-5-7-11(8-6-10)12-4-3-9-14-13(12)15/h10-12H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-(4-ethylcyclohexyl)piperidin-2-one?
3-(4-ethylcyclohexyl)piperidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)piperidin-2-one is sourced from PubChem (CID 104679227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).