2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone

C13H15BrFNO — CID 116547913

IUPAC2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cc(Br)ccc1F)C1CCCCN1
InChIInChI=1S/C13H15BrFNO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2
InChIKeyQIQYOYZWXQADFK-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.84
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone

2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone (PubChem CID 116547913) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
PubChem CID116547913
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cc(Br)ccc1F)C1CCCCN1
InChIInChI=1S/C13H15BrFNO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2
InChIKeyQIQYOYZWXQADFK-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
2-(5-bromo-2-fluorophenyl)-1-cyclooctylethanone
CID 80602139
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide;hydrochloride
CID 119312649
2-(5-bromo-2-fluorophenyl)-1-cyclopropylethanone
CID 62622639
2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119312640
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
1-(2-aminocycloheptyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 116595335
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone (CID 116547913) is 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone is O=C(Cc1cc(Br)ccc1F)C1CCCCN1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone?
The InChIKey is QIQYOYZWXQADFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-10-4-5-11(15)9(7-10)8-13(17)12-3-1-2-6-16-12/h4-5,7,12,16H,1-3,6,8H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone?
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone has a molecular weight of 300.17 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).