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

C19H21BrClFN2O — CID 6602834

IUPAC1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrFN2O.ClH/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;1H
InChIKeyJCLPXVJZHRFTNI-UHFFFAOYSA-N
MW427.75 g/mol
LogP4.41
Rot. Bonds5

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

1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 6602834) has the molecular formula C19H21BrClFN2O and a molecular weight of 427.75 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID6602834
Molecular FormulaC19H21BrClFN2O
Molecular Weight427.75 g/mol
Exact Mass426.05
IUPAC Name1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCN(c2ccccc2F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H20BrFN2O.ClH/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;1H
InChIKeyJCLPXVJZHRFTNI-UHFFFAOYSA-N
XLogP4.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 6602834) is 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride is 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;hydrochloride?
The InChIKey is JCLPXVJZHRFTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O.ClH/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;1H.
What are the key properties of 1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride?
1-(4-bromophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 427.75 g/mol, XLogP of 4.41, 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;hydrochloride is sourced from PubChem (CID 6602834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).