1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

C18H18BrFN2O — CID 113079351

IUPAC1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C18H18BrFN2O/c19-16-3-1-2-4-17(16)21-9-11-22(12-10-21)18(23)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2
InChIKeyJLHQSHRZKIFJTC-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.48
Rot. Bonds3

About 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 113079351) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID113079351
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C18H18BrFN2O/c19-16-3-1-2-4-17(16)21-9-11-22(12-10-21)18(23)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2
InChIKeyJLHQSHRZKIFJTC-UHFFFAOYSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
3-(2-bromophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]prop-2-en-1-one
CID 71896362
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
1-[4-(2-bromophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113079354
2-(2-bromophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074105
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55656852
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 35371198
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 55657332
2-(4-fluorophenyl)-1-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]ethanone
CID 55987649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 113079351) is 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(c2ccccc2Br)CC1.
What is the InChIKey of 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is JLHQSHRZKIFJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c19-16-3-1-2-4-17(16)21-9-11-22(12-10-21)18(23)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2.
What are the key properties of 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 377.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 113079351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).