1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine

C18H20Br2N2O2 — CID 69476818

IUPAC1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1Br
InChIInChI=1S/C18H20Br2N2O2/c1-23-17-6-4-13(11-16(17)20)21-7-9-22(10-8-21)14-3-5-15(19)18(12-14)24-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDLMARRHGFUZZPC-UHFFFAOYSA-N
MW456.18 g/mol
LogP4.56
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine

1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine (PubChem CID 69476818) has the molecular formula C18H20Br2N2O2 and a molecular weight of 456.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
PubChem CID69476818
Molecular FormulaC18H20Br2N2O2
Molecular Weight456.18 g/mol
Exact Mass453.99
IUPAC Name1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1Br
InChIInChI=1S/C18H20Br2N2O2/c1-23-17-6-4-13(11-16(17)20)21-7-9-22(10-8-21)14-3-5-15(19)18(12-14)24-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDLMARRHGFUZZPC-UHFFFAOYSA-N
XLogP4.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.18
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)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-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69223946
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
CID 22021972
1-(4-bromo-3-methoxyphenyl)-4-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)piperazine
CID 10114590
1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 10179408
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 57442580
1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69222365
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
2-(4-bromo-3-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide
CID 170557126
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine (CID 69476818) is 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine is COc1ccc(N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine?
The InChIKey is DLMARRHGFUZZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N2O2/c1-23-17-6-4-13(11-16(17)20)21-7-9-22(10-8-21)14-3-5-15(19)18(12-14)24-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine?
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine has a molecular weight of 456.18 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine is sourced from PubChem (CID 69476818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).