3-(3-methoxy-3-methylbutyl)piperidin-4-one

C11H21NO2 — CID 103034534

IUPAC3-(3-methoxy-3-methylbutyl)piperidin-4-one
SMILESCOC(C)(C)CCC1CNCCC1=O
InChIInChI=1S/C11H21NO2/c1-11(2,14-3)6-4-9-8-12-7-5-10(9)13/h9,12H,4-8H2,1-3H3
InChIKeyFJOUGBNHQUYTAQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.37
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)piperidin-4-one

3-(3-methoxy-3-methylbutyl)piperidin-4-one (PubChem CID 103034534) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)piperidin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)piperidin-4-one
PubChem CID103034534
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(3-methoxy-3-methylbutyl)piperidin-4-one
SMILESCOC(C)(C)CCC1CNCCC1=O
InChIInChI=1S/C11H21NO2/c1-11(2,14-3)6-4-9-8-12-7-5-10(9)13/h9,12H,4-8H2,1-3H3
InChIKeyFJOUGBNHQUYTAQ-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)piperidin-4-one?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)piperidin-4-one (CID 103034534) is 3-(3-methoxy-3-methylbutyl)piperidin-4-one.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)piperidin-4-one?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)piperidin-4-one is COC(C)(C)CCC1CNCCC1=O.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)piperidin-4-one?
The InChIKey is FJOUGBNHQUYTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,14-3)6-4-9-8-12-7-5-10(9)13/h9,12H,4-8H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)piperidin-4-one?
3-(3-methoxy-3-methylbutyl)piperidin-4-one has a molecular weight of 199.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)piperidin-4-one is sourced from PubChem (CID 103034534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).