cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one

C18H39NO — CID 91129263

IUPACcyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one
SMILESC1CCCCC1.CC.CC.CCC1CCC(=O)N(C)C1
InChIInChI=1S/C8H15NO.C6H12.2C2H6/c1-3-7-4-5-8(10)9(2)6-7;1-2-4-6-5-3-1;2*1-2/h7H,3-6H2,1-2H3;1-6H2;2*1-2H3
InChIKeyNXPYQRZEFRUNLI-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.66
Rot. Bonds1

About cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one

cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one (PubChem CID 91129263) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one.

Molecular Properties

Compound Namecyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one
PubChem CID91129263
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Namecyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one
SMILESC1CCCCC1.CC.CC.CCC1CCC(=O)N(C)C1
InChIInChI=1S/C8H15NO.C6H12.2C2H6/c1-3-7-4-5-8(10)9(2)6-7;1-2-4-6-5-3-1;2*1-2/h7H,3-6H2,1-2H3;1-6H2;2*1-2H3
InChIKeyNXPYQRZEFRUNLI-UHFFFAOYSA-N
XLogP5.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one?
The IUPAC name of cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one (CID 91129263) is cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one.
What is the SMILES notation for cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one?
The canonical SMILES for cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one is C1CCCCC1.CC.CC.CCC1CCC(=O)N(C)C1.
What is the InChIKey of cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one?
The InChIKey is NXPYQRZEFRUNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C6H12.2C2H6/c1-3-7-4-5-8(10)9(2)6-7;1-2-4-6-5-3-1;2*1-2/h7H,3-6H2,1-2H3;1-6H2;2*1-2H3.
What are the key properties of cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one?
cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one has a molecular weight of 285.52 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethane;5-ethyl-1-methylpiperidin-2-one is sourced from PubChem (CID 91129263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).