1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone

C13H16FNO — CID 57448055

IUPAC1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
SMILESCC(=O)c1cccc(C2CCNCC2)c1F
InChIInChI=1S/C13H16FNO/c1-9(16)11-3-2-4-12(13(11)14)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3
InChIKeyBLOWWRHEYKESDI-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone

1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone (PubChem CID 57448055) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
PubChem CID57448055
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
SMILESCC(=O)c1cccc(C2CCNCC2)c1F
InChIInChI=1S/C13H16FNO/c1-9(16)11-3-2-4-12(13(11)14)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3
InChIKeyBLOWWRHEYKESDI-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone?
The IUPAC name of 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone (CID 57448055) is 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone is CC(=O)c1cccc(C2CCNCC2)c1F.
What is the InChIKey of 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone?
The InChIKey is BLOWWRHEYKESDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(16)11-3-2-4-12(13(11)14)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3.
What are the key properties of 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone?
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone is sourced from PubChem (CID 57448055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).