3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane

C12H22N2O — CID 66394050

IUPAC3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CC(CN2CC3CCC(C2)O3)CCN1
InChIInChI=1S/C12H22N2O/c1-2-12-9-14(8-11(1)15-12)7-10-3-5-13-6-4-10/h10-13H,1-9H2
InChIKeyTXRIKDYBCNJQBU-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66394050) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66394050
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CC(CN2CC3CCC(C2)O3)CCN1
InChIInChI=1S/C12H22N2O/c1-2-12-9-14(8-11(1)15-12)7-10-3-5-13-6-4-10/h10-13H,1-9H2
InChIKeyTXRIKDYBCNJQBU-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66394050) is 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane is C1CC(CN2CC3CCC(C2)O3)CCN1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is TXRIKDYBCNJQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-12-9-14(8-11(1)15-12)7-10-3-5-13-6-4-10/h10-13H,1-9H2.
What are the key properties of 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66394050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).