3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane

C11H20N2O — CID 118535034

IUPAC3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESCN1CCC(N2CC3CC(C2)O3)CC1
InChIInChI=1S/C11H20N2O/c1-12-4-2-9(3-5-12)13-7-10-6-11(8-13)14-10/h9-11H,2-8H2,1H3
InChIKeyZDMLYQJGWPFOOU-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.55
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane

3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane (PubChem CID 118535034) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane
PubChem CID118535034
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane
SMILESCN1CCC(N2CC3CC(C2)O3)CC1
InChIInChI=1S/C11H20N2O/c1-12-4-2-9(3-5-12)13-7-10-6-11(8-13)14-10/h9-11H,2-8H2,1H3
InChIKeyZDMLYQJGWPFOOU-UHFFFAOYSA-N
XLogP0.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane (CID 118535034) is 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane is CN1CCC(N2CC3CC(C2)O3)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane?
The InChIKey is ZDMLYQJGWPFOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-4-2-9(3-5-12)13-7-10-6-11(8-13)14-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane?
3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane has a molecular weight of 196.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-6-oxa-3-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 118535034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).