1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine

C17H17BrCl2N2 — CID 4267301

IUPAC1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1Cl
InChIInChI=1S/C17H17BrCl2N2/c18-13-6-4-12(5-7-13)17(22-10-8-21-9-11-22)14-2-1-3-15(19)16(14)20/h1-7,17,21H,8-11H2
InChIKeyRQHJTJLUNRYVJZ-UHFFFAOYSA-N
MW400.15 g/mol
LogP4.75
Rot. Bonds3

About 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine

1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine (PubChem CID 4267301) has the molecular formula C17H17BrCl2N2 and a molecular weight of 400.15 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
PubChem CID4267301
Molecular FormulaC17H17BrCl2N2
Molecular Weight400.15 g/mol
Exact Mass398.00
IUPAC Name1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine
SMILESClc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1Cl
InChIInChI=1S/C17H17BrCl2N2/c18-13-6-4-12(5-7-13)17(22-10-8-21-9-11-22)14-2-1-3-15(19)16(14)20/h1-7,17,21H,8-11H2
InChIKeyRQHJTJLUNRYVJZ-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3736535
1-[bis(4-bromophenyl)methyl]-1,4-diazepane
CID 3760339
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
1-[(2,3-dichlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3844646
1-[(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4522489
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
1-[1-benzothiophen-3-yl-(4-bromophenyl)methyl]piperazine
CID 3286805
1-[1-benzothiophen-2-yl-(2,3-dichlorophenyl)methyl]piperazine
CID 3742114
1-[(1R)-1-(2,3-dichlorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171277286
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine (CID 4267301) is 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine is Clc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1Cl.
What is the InChIKey of 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine?
The InChIKey is RQHJTJLUNRYVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrCl2N2/c18-13-6-4-12(5-7-13)17(22-10-8-21-9-11-22)14-2-1-3-15(19)16(14)20/h1-7,17,21H,8-11H2.
What are the key properties of 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine?
1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine has a molecular weight of 400.15 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(2,3-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 4267301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).