3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane

C16H22FN — CID 130331104

IUPAC3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C16H22FN/c1-11(2)18-15-7-8-16(18)10-13(9-15)12-3-5-14(17)6-4-12/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyHEBVWVQDIFNIND-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.94
Rot. Bonds2

About 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane

3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane (PubChem CID 130331104) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
PubChem CID130331104
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C16H22FN/c1-11(2)18-15-7-8-16(18)10-13(9-15)12-3-5-14(17)6-4-12/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyHEBVWVQDIFNIND-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 45273886
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996834
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
CID 22012229
(3,5-difluorophenyl)-[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98066971
3-(1-methylpyrazol-3-yl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 176691923
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 46191517
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 66996846
3-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 61206988
3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
CID 98067126

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane (CID 130331104) is 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
The InChIKey is HEBVWVQDIFNIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11(2)18-15-7-8-16(18)10-13(9-15)12-3-5-14(17)6-4-12/h3-6,11,13,15-16H,7-10H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane?
3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane has a molecular weight of 247.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130331104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).