1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one

C14H25NO — CID 64741839

IUPAC1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
SMILESCCC1CCCC(N2CCC(=O)C(C)C2)C1
InChIInChI=1S/C14H25NO/c1-3-12-5-4-6-13(9-12)15-8-7-14(16)11(2)10-15/h11-13H,3-10H2,1-2H3
InChIKeyOFMUPMZEDWDRGA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one

1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one (PubChem CID 64741839) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
PubChem CID64741839
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
SMILESCCC1CCCC(N2CCC(=O)C(C)C2)C1
InChIInChI=1S/C14H25NO/c1-3-12-5-4-6-13(9-12)15-8-7-14(16)11(2)10-15/h11-13H,3-10H2,1-2H3
InChIKeyOFMUPMZEDWDRGA-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one (CID 64741839) is 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one is CCC1CCCC(N2CCC(=O)C(C)C2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one?
The InChIKey is OFMUPMZEDWDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-12-5-4-6-13(9-12)15-8-7-14(16)11(2)10-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one?
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 64741839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).