1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone

C15H27NO — CID 116559958

IUPAC1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
SMILESCCC1CCC(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-12-3-5-14(6-4-12)15(17)11-13-7-9-16-10-8-13/h12-14,16H,2-11H2,1H3
InChIKeyFYNVSHUNIMBWFF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone

1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone (PubChem CID 116559958) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
PubChem CID116559958
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
SMILESCCC1CCC(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C15H27NO/c1-2-12-3-5-14(6-4-12)15(17)11-13-7-9-16-10-8-13/h12-14,16H,2-11H2,1H3
InChIKeyFYNVSHUNIMBWFF-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(3-ethylcyclopentyl)ethanone
CID 65408905
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
CID 114224600
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
CID 64775004
methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
CID 130283512
4-(4-ethylcyclohexyl)piperidine
CID 20603175
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
1-(4-butylcyclohexyl)-2-cyclopentylethanone
CID 114969263

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone (CID 116559958) is 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone is CCC1CCC(C(=O)CC2CCNCC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone?
The InChIKey is FYNVSHUNIMBWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-12-3-5-14(6-4-12)15(17)11-13-7-9-16-10-8-13/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone?
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone has a molecular weight of 237.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 116559958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).