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

C20H25BrN2O3 — CID 8587506

IUPAC1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3cc(OC)c(Br)cc3OC)CC2)cc1
InChIInChI=1S/C20H25BrN2O3/c1-24-17-6-4-16(5-7-17)23-10-8-22(9-11-23)14-15-12-20(26-3)18(21)13-19(15)25-2/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyLPJIIELXAYEZFP-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.80
Rot. Bonds6

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

1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 8587506) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID8587506
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3cc(OC)c(Br)cc3OC)CC2)cc1
InChIInChI=1S/C20H25BrN2O3/c1-24-17-6-4-16(5-7-17)23-10-8-22(9-11-23)14-15-12-20(26-3)18(21)13-19(15)25-2/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyLPJIIELXAYEZFP-UHFFFAOYSA-N
XLogP3.80
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1376801
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672717
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2838017
2-[4-[(5-bromo-2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 1376777
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 43441437
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
1-(4-methoxyphenyl)-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 3717638
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (CID 8587506) is 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3cc(OC)c(Br)cc3OC)CC2)cc1.
What is the InChIKey of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is LPJIIELXAYEZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-24-17-6-4-16(5-7-17)23-10-8-22(9-11-23)14-15-12-20(26-3)18(21)13-19(15)25-2/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 421.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 8587506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).