1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one

C14H17BrFNO — CID 82050209

IUPAC1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO/c15-11-4-5-13(16)12(10-11)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2
InChIKeyIBAUBXFHTCAFSI-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.65
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one

1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 82050209) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID82050209
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFNO/c15-11-4-5-13(16)12(10-11)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2
InChIKeyIBAUBXFHTCAFSI-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
1-(5-bromo-2-fluorophenyl)-3-cyclopentylpropan-1-one
CID 115784576
1-(5-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 79953274
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
1-(5-bromo-2-fluorophenyl)-2-piperazin-1-ylethanone
CID 82263442
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
1-(2,6-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514169
1-(5-bromo-2-fluorophenyl)hex-5-yn-1-one
CID 114894242
4-(5-bromo-2-fluorophenyl)-4-oxobutanenitrile
CID 43608246
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543785

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one (CID 82050209) is 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is IBAUBXFHTCAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-11-4-5-13(16)12(10-11)14(18)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one?
1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 314.20 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 82050209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).