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

C19H20BrFN2O — CID 113079541

IUPAC1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCc1cc(Br)ccc1N1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H20BrFN2O/c1-14-12-16(20)6-7-18(14)22-8-10-23(11-9-22)19(24)13-15-4-2-3-5-17(15)21/h2-7,12H,8-11,13H2,1H3
InChIKeyUWXWZGXTWVHLKU-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.79
Rot. Bonds3

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

1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 113079541) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID113079541
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCc1cc(Br)ccc1N1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C19H20BrFN2O/c1-14-12-16(20)6-7-18(14)22-8-10-23(11-9-22)19(24)13-15-4-2-3-5-17(15)21/h2-7,12H,8-11,13H2,1H3
InChIKeyUWXWZGXTWVHLKU-UHFFFAOYSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113079899
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075631
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080843
1-[4-(3-bromophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 113079434
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113076805
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110809731

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (CID 113079541) is 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is Cc1cc(Br)ccc1N1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is UWXWZGXTWVHLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c1-14-12-16(20)6-7-18(14)22-8-10-23(11-9-22)19(24)13-15-4-2-3-5-17(15)21/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[4-(4-bromo-2-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 391.28 g/mol, XLogP of 3.79, 3 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-methylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 113079541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).