1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone

C14H15BrFNO2 — CID 14032496

IUPAC1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H15BrFNO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3
InChIKeyGIARNBPXBJOTPX-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.03
Rot. Bonds2

About 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone

1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone (PubChem CID 14032496) has the molecular formula C14H15BrFNO2 and a molecular weight of 328.18 g/mol. Its IUPAC name is 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone
PubChem CID14032496
Molecular FormulaC14H15BrFNO2
Molecular Weight328.18 g/mol
Exact Mass327.03
IUPAC Name1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C14H15BrFNO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3
InChIKeyGIARNBPXBJOTPX-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2978552
1-(4-Bromophenyl)-3-(dimethylamino)-1-propanone
CID 200187
1-Propanone, 1-(4-bromophenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 120529
1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
CID 2740707
1-[4-(4-Bromophenyl)-4-oxobutanoyl]piperidine-4-carboxamide
CID 2106797
[1-[(4-Bromophenyl)methyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 162659118
2,2,2-Trifluoro-1-(4-benzoylpiperidin-1-YL)ethanone
CID 2740742
1-(4-Bromophenyl)-3-(1-piperidinyl)-2-buten-1-one
CID 2291097
2-(4-Acetyl-1-piperazinyl)-1-(4-bromophenyl)ethanone hydrochloride
CID 2909182
3-[(4-Bromophenyl)methyl]-1-methylpiperidine-2,6-dione
CID 14531168
(1-Acetylpiperidin-3-yl)(2,5-difluorophenyl)methanone
CID 16190823
(1-(4-Bromobenzoyl)piperidin-4-yl)(4-fluorophenyl)methanone
CID 46906252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone (CID 14032496) is 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone?
The InChIKey is GIARNBPXBJOTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone?
1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone has a molecular weight of 328.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-2-fluorobenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14032496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).