1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine

C19H21BrCl2N2O2 — CID 4738646

IUPAC1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine
SMILESCOc1cc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)c(OC)cc1Br
InChIInChI=1S/C19H21BrCl2N2O2/c1-25-17-11-15(20)18(26-2)10-14(17)19(24-7-5-23-6-8-24)13-4-3-12(21)9-16(13)22/h3-4,9-11,19,23H,5-8H2,1-2H3
InChIKeyXNOUIXDXBWLLST-UHFFFAOYSA-N
MW460.20 g/mol
LogP4.77
Rot. Bonds5

About 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine

1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine (PubChem CID 4738646) has the molecular formula C19H21BrCl2N2O2 and a molecular weight of 460.20 g/mol. Its IUPAC name is 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine
PubChem CID4738646
Molecular FormulaC19H21BrCl2N2O2
Molecular Weight460.20 g/mol
Exact Mass458.02
IUPAC Name1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine
SMILESCOc1cc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)c(OC)cc1Br
InChIInChI=1S/C19H21BrCl2N2O2/c1-25-17-11-15(20)18(26-2)10-14(17)19(24-7-5-23-6-8-24)13-4-3-12(21)9-16(13)22/h3-4,9-11,19,23H,5-8H2,1-2H3
InChIKeyXNOUIXDXBWLLST-UHFFFAOYSA-N
XLogP4.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.20
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-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-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine
CID 4738644
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425
1-[(2,4-dichlorophenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3766292
1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171283147
1-[(2,3-dichlorophenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 3541146
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(2,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4008123
1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603
1-[(1R)-1-(4-bromo-2,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171295771
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)butyl]piperazine
CID 171283172
1-[(S)-(4-bromo-2,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171283159

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine (CID 4738646) is 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine is COc1cc(C(c2ccc(Cl)cc2Cl)N2CCNCC2)c(OC)cc1Br.
What is the InChIKey of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine?
The InChIKey is XNOUIXDXBWLLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrCl2N2O2/c1-25-17-11-15(20)18(26-2)10-14(17)19(24-7-5-23-6-8-24)13-4-3-12(21)9-16(13)22/h3-4,9-11,19,23H,5-8H2,1-2H3.
What are the key properties of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine?
1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine has a molecular weight of 460.20 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine is sourced from PubChem (CID 4738646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).