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

C21H27BrN2O3 — CID 3428738

IUPAC1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(Br)cc1C(c1cc(OC)ccc1OC)N1CCNCC1
InChIInChI=1S/C21H27BrN2O3/c1-4-27-20-7-5-15(22)13-17(20)21(24-11-9-23-10-12-24)18-14-16(25-2)6-8-19(18)26-3/h5-8,13-14,21,23H,4,9-12H2,1-3H3
InChIKeyGWSCIZORPMZVQF-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.86
Rot. Bonds7

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

1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 3428738) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
PubChem CID3428738
Molecular FormulaC21H27BrN2O3
Molecular Weight435.36 g/mol
Exact Mass434.12
IUPAC Name1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(Br)cc1C(c1cc(OC)ccc1OC)N1CCNCC1
InChIInChI=1S/C21H27BrN2O3/c1-4-27-20-7-5-15(22)13-17(20)21(24-11-9-23-10-12-24)18-14-16(25-2)6-8-19(18)26-3/h5-8,13-14,21,23H,4,9-12H2,1-3H3
InChIKeyGWSCIZORPMZVQF-UHFFFAOYSA-N
XLogP3.86
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(S)-(5-bromo-2-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171278489
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749
1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
CID 3809899
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
1-[(1S)-1-(5-bromo-2-ethoxyphenyl)butyl]piperazine;dihydrochloride
CID 171278491
1-[(4-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3758150
1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3699847

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine (CID 3428738) is 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine is CCOc1ccc(Br)cc1C(c1cc(OC)ccc1OC)N1CCNCC1.
What is the InChIKey of 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is GWSCIZORPMZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c1-4-27-20-7-5-15(22)13-17(20)21(24-11-9-23-10-12-24)18-14-16(25-2)6-8-19(18)26-3/h5-8,13-14,21,23H,4,9-12H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine?
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 435.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3428738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).