2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol

C12H16N2O — CID 117050343

IUPAC2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol
SMILESOC1CC2CCC1CN2c1ccncc1
InChIInChI=1S/C12H16N2O/c15-12-7-11-2-1-9(12)8-14(11)10-3-5-13-6-4-10/h3-6,9,11-12,15H,1-2,7-8H2
InChIKeyLTERJDJDCUTJHU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds1

About 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol

2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol (PubChem CID 117050343) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol
PubChem CID117050343
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol
SMILESOC1CC2CCC1CN2c1ccncc1
InChIInChI=1S/C12H16N2O/c15-12-7-11-2-1-9(12)8-14(11)10-3-5-13-6-4-10/h3-6,9,11-12,15H,1-2,7-8H2
InChIKeyLTERJDJDCUTJHU-UHFFFAOYSA-N
XLogP1.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 49780189
4-[(5R,6R,9R,13S)-7-(pyridin-4-ylmethyl)-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butan-1-ol
CID 90676711
1-phenyl-2,6-dipyridin-3-yl-3,6-dihydro-2H-pyridin-4-ol
CID 127042691
1-(4-pyridinyl)-4-Piperidineethanol
CID 54222674
3-(Pyridin-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 132282859
1-[[1-[2-(Trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
CID 157038926
1-[1-(3-Fluoro-4-pyridinyl)-4-piperidinyl]-2-phenylethanol
CID 72855355
1-[1-(3-Fluoro-4-pyridinyl)-4-piperidinyl]-3-phenyl-1-propanol
CID 72880234
(1S)-1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol
CID 97271346
(1R)-1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-2-phenylethanol
CID 97271347
(1S)-1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97275826
(1R)-1-[1-(3-fluoro-4-pyridinyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97275827

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol?
The IUPAC name of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol (CID 117050343) is 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol is OC1CC2CCC1CN2c1ccncc1.
What is the InChIKey of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol?
The InChIKey is LTERJDJDCUTJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-7-11-2-1-9(12)8-14(11)10-3-5-13-6-4-10/h3-6,9,11-12,15H,1-2,7-8H2.
What are the key properties of 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol?
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol has a molecular weight of 204.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 117050343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).