3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane

C11H20N2O — CID 66391136

IUPAC3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CC(N2CC3CCC(C2)O3)CCN1
InChIInChI=1S/C11H20N2O/c1-2-11-8-13(7-10(1)14-11)9-3-5-12-6-4-9/h9-12H,1-8H2
InChIKeyUNTROVBPKMBQLH-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.60
Rot. Bonds1

About 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane

3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66391136) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66391136
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CC(N2CC3CCC(C2)O3)CCN1
InChIInChI=1S/C11H20N2O/c1-2-11-8-13(7-10(1)14-11)9-3-5-12-6-4-9/h9-12H,1-8H2
InChIKeyUNTROVBPKMBQLH-UHFFFAOYSA-N
XLogP0.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane (CID 66391136) is 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane is C1CC(N2CC3CCC(C2)O3)CCN1.
What is the InChIKey of 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is UNTROVBPKMBQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-11-8-13(7-10(1)14-11)9-3-5-12-6-4-9/h9-12H,1-8H2.
What are the key properties of 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane?
3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 196.29 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66391136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).