[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol

C14H20N2O2 — CID 113380521

IUPAC[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
SMILESCCc1cc(CO)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H20N2O2/c1-2-11-5-10(9-17)6-14(15-11)16-7-12-3-4-13(8-16)18-12/h5-6,12-13,17H,2-4,7-9H2,1H3
InChIKeyBPJUVYKHQUWAHY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds3

About [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol

[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol (PubChem CID 113380521) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
PubChem CID113380521
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol
SMILESCCc1cc(CO)cc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C14H20N2O2/c1-2-11-5-10(9-17)6-14(15-11)16-7-12-3-4-13(8-16)18-12/h5-6,12-13,17H,2-4,7-9H2,1H3
InChIKeyBPJUVYKHQUWAHY-UHFFFAOYSA-N
XLogP1.50
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol?
The IUPAC name of [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol (CID 113380521) is [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol?
The canonical SMILES for [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol is CCc1cc(CO)cc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol?
The InChIKey is BPJUVYKHQUWAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-5-10(9-17)6-14(15-11)16-7-12-3-4-13(8-16)18-12/h5-6,12-13,17H,2-4,7-9H2,1H3.
What are the key properties of [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol?
[2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol has a molecular weight of 248.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 113380521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).