3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane

C12H22N2O — CID 66393277

IUPAC3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1CCC(N2CC3CCC(C2)O3)CN1
InChIInChI=1S/C12H22N2O/c1-9-2-3-10(6-13-9)14-7-11-4-5-12(8-14)15-11/h9-13H,2-8H2,1H3
InChIKeyYVQICOHRCURAQB-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds1

About 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66393277) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66393277
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESCC1CCC(N2CC3CCC(C2)O3)CN1
InChIInChI=1S/C12H22N2O/c1-9-2-3-10(6-13-9)14-7-11-4-5-12(8-14)15-11/h9-13H,2-8H2,1H3
InChIKeyYVQICOHRCURAQB-UHFFFAOYSA-N
XLogP0.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66393277) is 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane is CC1CCC(N2CC3CCC(C2)O3)CN1.
What is the InChIKey of 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is YVQICOHRCURAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-2-3-10(6-13-9)14-7-11-4-5-12(8-14)15-11/h9-13H,2-8H2,1H3.
What are the key properties of 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 210.32 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpiperidin-3-yl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66393277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).