1-methoxy-2,2-dimethylpiperidin-4-one

C8H15NO2 — CID 143602742

IUPAC1-methoxy-2,2-dimethylpiperidin-4-one
SMILESCON1CCC(=O)CC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)6-7(10)4-5-9(8)11-3/h4-6H2,1-3H3
InChIKeyMHQJNKWCBSNUBU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds1

About 1-methoxy-2,2-dimethylpiperidin-4-one

1-methoxy-2,2-dimethylpiperidin-4-one (PubChem CID 143602742) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-methoxy-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-methoxy-2,2-dimethylpiperidin-4-one
PubChem CID143602742
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-methoxy-2,2-dimethylpiperidin-4-one
SMILESCON1CCC(=O)CC1(C)C
InChIInChI=1S/C8H15NO2/c1-8(2)6-7(10)4-5-9(8)11-3/h4-6H2,1-3H3
InChIKeyMHQJNKWCBSNUBU-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2-dimethylpiperidin-4-one?
The IUPAC name of 1-methoxy-2,2-dimethylpiperidin-4-one (CID 143602742) is 1-methoxy-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 1-methoxy-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 1-methoxy-2,2-dimethylpiperidin-4-one is CON1CCC(=O)CC1(C)C.
What is the InChIKey of 1-methoxy-2,2-dimethylpiperidin-4-one?
The InChIKey is MHQJNKWCBSNUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)6-7(10)4-5-9(8)11-3/h4-6H2,1-3H3.
What are the key properties of 1-methoxy-2,2-dimethylpiperidin-4-one?
1-methoxy-2,2-dimethylpiperidin-4-one has a molecular weight of 157.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 143602742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).