3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one

C15H27NO — CID 114509040

IUPAC3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one
SMILESCCC1CCC(N2CCC(=O)C(CC)C2)CC1
InChIInChI=1S/C15H27NO/c1-3-12-5-7-14(8-6-12)16-10-9-15(17)13(4-2)11-16/h12-14H,3-11H2,1-2H3
InChIKeyGHRPFWJRVCZVFY-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds3

About 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one

3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one (PubChem CID 114509040) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one
PubChem CID114509040
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one
SMILESCCC1CCC(N2CCC(=O)C(CC)C2)CC1
InChIInChI=1S/C15H27NO/c1-3-12-5-7-14(8-6-12)16-10-9-15(17)13(4-2)11-16/h12-14H,3-11H2,1-2H3
InChIKeyGHRPFWJRVCZVFY-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one (CID 114509040) is 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one is CCC1CCC(N2CCC(=O)C(CC)C2)CC1.
What is the InChIKey of 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one?
The InChIKey is GHRPFWJRVCZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-12-5-7-14(8-6-12)16-10-9-15(17)13(4-2)11-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one?
3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one has a molecular weight of 237.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-ethylcyclohexyl)piperidin-4-one is sourced from PubChem (CID 114509040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).