3-methoxy-1-methylpiperidin-4-one

C7H13NO2 — CID 19883545

IUPAC3-methoxy-1-methylpiperidin-4-one
SMILESCOC1CN(C)CCC1=O
InChIInChI=1S/C7H13NO2/c1-8-4-3-6(9)7(5-8)10-2/h7H,3-5H2,1-2H3
InChIKeyYCDSWEXWNROWMN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.09
Rot. Bonds1

About 3-methoxy-1-methylpiperidin-4-one

3-methoxy-1-methylpiperidin-4-one (PubChem CID 19883545) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methoxy-1-methylpiperidin-4-one.

Molecular Properties

Compound Name3-methoxy-1-methylpiperidin-4-one
PubChem CID19883545
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-methoxy-1-methylpiperidin-4-one
SMILESCOC1CN(C)CCC1=O
InChIInChI=1S/C7H13NO2/c1-8-4-3-6(9)7(5-8)10-2/h7H,3-5H2,1-2H3
InChIKeyYCDSWEXWNROWMN-UHFFFAOYSA-N
XLogP-0.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpiperidin-4-one?
The IUPAC name of 3-methoxy-1-methylpiperidin-4-one (CID 19883545) is 3-methoxy-1-methylpiperidin-4-one.
What is the SMILES notation for 3-methoxy-1-methylpiperidin-4-one?
The canonical SMILES for 3-methoxy-1-methylpiperidin-4-one is COC1CN(C)CCC1=O.
What is the InChIKey of 3-methoxy-1-methylpiperidin-4-one?
The InChIKey is YCDSWEXWNROWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-4-3-6(9)7(5-8)10-2/h7H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-1-methylpiperidin-4-one?
3-methoxy-1-methylpiperidin-4-one has a molecular weight of 143.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpiperidin-4-one is sourced from PubChem (CID 19883545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).