2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone

C13H15BrFNO — CID 116547767

IUPAC2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)C1CCCCN1
InChIInChI=1S/C13H15BrFNO/c14-10-5-9(6-11(15)8-10)7-13(17)12-3-1-2-4-16-12/h5-6,8,12,16H,1-4,7H2
InChIKeyHYLQKYNDPYHUAD-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.84
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone

2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone (PubChem CID 116547767) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
PubChem CID116547767
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cc(F)cc(Br)c1)C1CCCCN1
InChIInChI=1S/C13H15BrFNO/c14-10-5-9(6-11(15)8-10)7-13(17)12-3-1-2-4-16-12/h5-6,8,12,16H,1-4,7H2
InChIKeyHYLQKYNDPYHUAD-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

1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
2-(3-bromophenyl)-1-piperidin-2-ylethanone
CID 116547857
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 115786828
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
1-(2-aminocycloheptyl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116595152
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
3-(3-bromo-5-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103455829
2-(3-bromo-5-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 116561991
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
1-(azepan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116582740

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone (CID 116547767) is 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone is O=C(Cc1cc(F)cc(Br)c1)C1CCCCN1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone?
The InChIKey is HYLQKYNDPYHUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-10-5-9(6-11(15)8-10)7-13(17)12-3-1-2-4-16-12/h5-6,8,12,16H,1-4,7H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone?
2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).