1-(1,4-dimethylcyclohexyl)piperidin-4-one

C13H23NO — CID 59419698

IUPAC1-(1,4-dimethylcyclohexyl)piperidin-4-one
SMILESCC1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H23NO/c1-11-3-7-13(2,8-4-11)14-9-5-12(15)6-10-14/h11H,3-10H2,1-2H3
InChIKeyOXHJTLLHAUVSQU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds1

About 1-(1,4-dimethylcyclohexyl)piperidin-4-one

1-(1,4-dimethylcyclohexyl)piperidin-4-one (PubChem CID 59419698) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexyl)piperidin-4-one
PubChem CID59419698
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1,4-dimethylcyclohexyl)piperidin-4-one
SMILESCC1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H23NO/c1-11-3-7-13(2,8-4-11)14-9-5-12(15)6-10-14/h11H,3-10H2,1-2H3
InChIKeyOXHJTLLHAUVSQU-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohexyl)piperidin-4-one?
The IUPAC name of 1-(1,4-dimethylcyclohexyl)piperidin-4-one (CID 59419698) is 1-(1,4-dimethylcyclohexyl)piperidin-4-one.
What is the SMILES notation for 1-(1,4-dimethylcyclohexyl)piperidin-4-one?
The canonical SMILES for 1-(1,4-dimethylcyclohexyl)piperidin-4-one is CC1CCC(C)(N2CCC(=O)CC2)CC1.
What is the InChIKey of 1-(1,4-dimethylcyclohexyl)piperidin-4-one?
The InChIKey is OXHJTLLHAUVSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-3-7-13(2,8-4-11)14-9-5-12(15)6-10-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-(1,4-dimethylcyclohexyl)piperidin-4-one?
1-(1,4-dimethylcyclohexyl)piperidin-4-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexyl)piperidin-4-one is sourced from PubChem (CID 59419698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).