8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

C15H18FNO — CID 126818898

IUPAC8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1cc(CN2C3CCC2CC(=O)C3)ccc1F
InChIInChI=1S/C15H18FNO/c1-10-6-11(2-5-15(10)16)9-17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-13H,3-4,7-9H2,1H3
InChIKeyXETNJANVSUCHLX-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.83
Rot. Bonds2

About 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one

8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 126818898) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
PubChem CID126818898
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
SMILESCc1cc(CN2C3CCC2CC(=O)C3)ccc1F
InChIInChI=1S/C15H18FNO/c1-10-6-11(2-5-15(10)16)9-17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-13H,3-4,7-9H2,1H3
InChIKeyXETNJANVSUCHLX-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-Fluoro-4-iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 44381526
1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-ethanone
CID 19006316
1-[3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one
CID 21959109
8-Benzyl-8-azabicyclo(3.2.1)octan-3-one
CID 119846
1-Benzyl-2,3-dimethylpiperidin-4-one
CID 4431382
(2E,4E)-2,4-bis[(4-fluorophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 5702998
8-[2-[4-(Trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 155566250
(2E,4E)-2,4-bis(2-fluorobenzylidene)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 12004766
8-(2-Phenylethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 13428506
1-Methyl-2-phenylpiperidin-4-one
CID 604973
1-Methyl-2,6-diphenylpiperidin-4-one
CID 280708
6-(4-Fluorophenyl)-2,2-dimethylpiperidin-4-one
CID 200568

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one (CID 126818898) is 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one is Cc1cc(CN2C3CCC2CC(=O)C3)ccc1F.
What is the InChIKey of 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is XETNJANVSUCHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-10-6-11(2-5-15(10)16)9-17-12-3-4-13(17)8-14(18)7-12/h2,5-6,12-13H,3-4,7-9H2,1H3.
What are the key properties of 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one?
8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 247.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluoro-3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 126818898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).