3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one

C11H21NO2 — CID 103020999

IUPAC3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,14-3)9-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyIVXIAKGSOJINSJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one

3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one (PubChem CID 103020999) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one
PubChem CID103020999
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,14-3)9-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyIVXIAKGSOJINSJ-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one (CID 103020999) is 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one is COC(C)(C)CC(=O)N1CCCCC1.
What is the InChIKey of 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one?
The InChIKey is IVXIAKGSOJINSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,14-3)9-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one?
3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 103020999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).