1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride

C19H22BrCl2FN2O — CID 2982236

IUPAC1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrFN2O.2ClH/c20-16-7-5-15(6-8-16)19(24)9-10-22-11-13-23(14-12-22)18-4-2-1-3-17(18)21;;/h1-8H,9-14H2;2*1H
InChIKeyASRUPYWFROTOOP-UHFFFAOYSA-N
MW464.21 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride

1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 2982236) has the molecular formula C19H22BrCl2FN2O and a molecular weight of 464.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID2982236
Molecular FormulaC19H22BrCl2FN2O
Molecular Weight464.21 g/mol
Exact Mass462.03
IUPAC Name1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrFN2O.2ClH/c20-16-7-5-15(6-8-16)19(24)9-10-22-11-13-23(14-12-22)18-4-2-1-3-17(18)21;;/h1-8H,9-14H2;2*1H
InChIKeyASRUPYWFROTOOP-UHFFFAOYSA-N
XLogP4.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.21
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
(4-bromophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 1303892
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 62612808
1-(4-bromophenyl)-3-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 63002569
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
1-(4-bromophenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butane-1,4-dione
CID 47004901
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 2982236) is 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is ASRUPYWFROTOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O.2ClH/c20-16-7-5-15(6-8-16)19(24)9-10-22-11-13-23(14-12-22)18-4-2-1-3-17(18)21;;/h1-8H,9-14H2;2*1H.
What are the key properties of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride?
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 464.21 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 2982236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).