1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one

C15H19BrFNO2 — CID 116572237

IUPAC1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
SMILESO=C(CCOC1CCNCC1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H19BrFNO2/c16-15-2-1-12(17)9-11(15)10-13(19)5-8-20-14-3-6-18-7-4-14/h1-2,9,14,18H,3-8,10H2
InChIKeyADEWQMCZOAEBQL-UHFFFAOYSA-N
MW344.22 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one

1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one (PubChem CID 116572237) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
PubChem CID116572237
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
SMILESO=C(CCOC1CCNCC1)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H19BrFNO2/c16-15-2-1-12(17)9-11(15)10-13(19)5-8-20-14-3-6-18-7-4-14/h1-2,9,14,18H,3-8,10H2
InChIKeyADEWQMCZOAEBQL-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
1-(4-bromo-3-chloro-2-fluorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 106763987
1-(azetidin-3-yl)-3-(2-bromo-5-fluorophenyl)propan-2-one
CID 116582254
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
1-(2-bromo-4-fluorophenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116605919
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105090148
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
N-(5-ethyl-1H-pyrazol-3-yl)-3-piperidin-4-yloxypropanamide
CID 104617993

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one (CID 116572237) is 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one is O=C(CCOC1CCNCC1)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
The InChIKey is ADEWQMCZOAEBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c16-15-2-1-12(17)9-11(15)10-13(19)5-8-20-14-3-6-18-7-4-14/h1-2,9,14,18H,3-8,10H2.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one?
1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one has a molecular weight of 344.22 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one is sourced from PubChem (CID 116572237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).