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

C12H16N2O2 — CID 66369773

IUPAC[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol
SMILESOCc1cc(N2CC3CCC(C2)O3)ccn1
InChIInChI=1S/C12H16N2O2/c15-8-9-5-10(3-4-13-9)14-6-11-1-2-12(7-14)16-11/h3-5,11-12,15H,1-2,6-8H2
InChIKeyNACIBFLVYKGBRY-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.94
Rot. Bonds2

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

[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol (PubChem CID 66369773) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol
PubChem CID66369773
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol
SMILESOCc1cc(N2CC3CCC(C2)O3)ccn1
InChIInChI=1S/C12H16N2O2/c15-8-9-5-10(3-4-13-9)14-6-11-1-2-12(7-14)16-11/h3-5,11-12,15H,1-2,6-8H2
InChIKeyNACIBFLVYKGBRY-UHFFFAOYSA-N
XLogP0.94
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol?
The IUPAC name of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol (CID 66369773) is [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol is OCc1cc(N2CC3CCC(C2)O3)ccn1.
What is the InChIKey of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol?
The InChIKey is NACIBFLVYKGBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-8-9-5-10(3-4-13-9)14-6-11-1-2-12(7-14)16-11/h3-5,11-12,15H,1-2,6-8H2.
What are the key properties of [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol?
[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol has a molecular weight of 220.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 66369773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).