1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one

C13H23NO2 — CID 59419757

IUPAC1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one
SMILESCOC1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(7-3-12(16-2)4-8-13)14-9-5-11(15)6-10-14/h12H,3-10H2,1-2H3
InChIKeyORDZFQGQBUYNLW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one

1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one (PubChem CID 59419757) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one
PubChem CID59419757
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one
SMILESCOC1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C13H23NO2/c1-13(7-3-12(16-2)4-8-13)14-9-5-11(15)6-10-14/h12H,3-10H2,1-2H3
InChIKeyORDZFQGQBUYNLW-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one?
The IUPAC name of 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one (CID 59419757) is 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one.
What is the SMILES notation for 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one?
The canonical SMILES for 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one is COC1CCC(C)(N2CCC(=O)CC2)CC1.
What is the InChIKey of 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one?
The InChIKey is ORDZFQGQBUYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(7-3-12(16-2)4-8-13)14-9-5-11(15)6-10-14/h12H,3-10H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one?
1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one is sourced from PubChem (CID 59419757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).