3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane

C13H17FN2 — CID 112564682

IUPAC3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESFC1(Cc2ccncc2)CC2CCC(C1)N2
InChIInChI=1S/C13H17FN2/c14-13(7-10-3-5-15-6-4-10)8-11-1-2-12(9-13)16-11/h3-6,11-12,16H,1-2,7-9H2
InChIKeyGOKZWWUHQLWWFB-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.25
Rot. Bonds2

About 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 112564682) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID112564682
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESFC1(Cc2ccncc2)CC2CCC(C1)N2
InChIInChI=1S/C13H17FN2/c14-13(7-10-3-5-15-6-4-10)8-11-1-2-12(9-13)16-11/h3-6,11-12,16H,1-2,7-9H2
InChIKeyGOKZWWUHQLWWFB-UHFFFAOYSA-N
XLogP2.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 112564682) is 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane is FC1(Cc2ccncc2)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is GOKZWWUHQLWWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-13(7-10-3-5-15-6-4-10)8-11-1-2-12(9-13)16-11/h3-6,11-12,16H,1-2,7-9H2.
What are the key properties of 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 220.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).