3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

C17H22FNO — CID 171948236

IUPAC3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)CCc1cccc(F)c1)C2
InChIInChI=1S/C17H22FNO/c1-19-15-6-7-16(19)11-13(10-15)17(20)8-5-12-3-2-4-14(18)9-12/h2-4,9,13,15-16H,5-8,10-11H2,1H3
InChIKeyDRUAOTPFDDAIFF-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.20
Rot. Bonds4

About 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one

3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (PubChem CID 171948236) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
PubChem CID171948236
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
SMILESCN1C2CCC1CC(C(=O)CCc1cccc(F)c1)C2
InChIInChI=1S/C17H22FNO/c1-19-15-6-7-16(19)11-13(10-15)17(20)8-5-12-3-2-4-14(18)9-12/h2-4,9,13,15-16H,5-8,10-11H2,1H3
InChIKeyDRUAOTPFDDAIFF-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-fluorophenyl)-1-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]propan-1-one
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ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one (CID 171948236) is 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is CN1C2CCC1CC(C(=O)CCc1cccc(F)c1)C2.
What is the InChIKey of 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
The InChIKey is DRUAOTPFDDAIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-19-15-6-7-16(19)11-13(10-15)17(20)8-5-12-3-2-4-14(18)9-12/h2-4,9,13,15-16H,5-8,10-11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one?
3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one has a molecular weight of 275.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one is sourced from PubChem (CID 171948236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).