3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine

C11H22N2O — CID 130591060

IUPAC3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine
SMILESCOC1(C)CCN(C2CC(N)C2)CC1
InChIInChI=1S/C11H22N2O/c1-11(14-2)3-5-13(6-4-11)10-7-9(12)8-10/h9-10H,3-8,12H2,1-2H3
InChIKeyCVGWAENPOJDMJE-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds2

About 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine

3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine (PubChem CID 130591060) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine
PubChem CID130591060
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine
SMILESCOC1(C)CCN(C2CC(N)C2)CC1
InChIInChI=1S/C11H22N2O/c1-11(14-2)3-5-13(6-4-11)10-7-9(12)8-10/h9-10H,3-8,12H2,1-2H3
InChIKeyCVGWAENPOJDMJE-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
The IUPAC name of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine (CID 130591060) is 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine is COC1(C)CCN(C2CC(N)C2)CC1.
What is the InChIKey of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
The InChIKey is CVGWAENPOJDMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(14-2)3-5-13(6-4-11)10-7-9(12)8-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine?
3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-4-methylpiperidin-1-yl)cyclobutan-1-amine is sourced from PubChem (CID 130591060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).