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

C20H25BrN2O3 — CID 1375666

IUPAC1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(Br)c(CN2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C20H25BrN2O3/c1-24-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-19(25-2)20(26-3)13-16(15)21/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyDGLPDHCHSUSNJF-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.80
Rot. Bonds6

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

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1375666) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID1375666
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(Br)c(CN2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C20H25BrN2O3/c1-24-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-19(25-2)20(26-3)13-16(15)21/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyDGLPDHCHSUSNJF-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

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Related Compounds

1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354
1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 71461481
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine
CID 8582727
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine (CID 1375666) is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine is COc1cc(Br)c(CN2CCN(c3ccccc3OC)CC2)cc1OC.
What is the InChIKey of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DGLPDHCHSUSNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-24-18-7-5-4-6-17(18)23-10-8-22(9-11-23)14-15-12-19(25-2)20(26-3)13-16(15)21/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-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-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1375666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).