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

C15H23BrN2O2 — CID 782375

IUPAC1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C15H23BrN2O2/c1-4-17-5-7-18(8-6-17)11-12-9-14(19-2)15(20-3)10-13(12)16/h9-10H,4-8,11H2,1-3H3
InChIKeyNPJIGTSWJRKSFN-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.60
Rot. Bonds5

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

1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine (PubChem CID 782375) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
PubChem CID782375
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2cc(OC)c(OC)cc2Br)CC1
InChIInChI=1S/C15H23BrN2O2/c1-4-17-5-7-18(8-6-17)11-12-9-14(19-2)15(20-3)10-13(12)16/h9-10H,4-8,11H2,1-3H3
InChIKeyNPJIGTSWJRKSFN-UHFFFAOYSA-N
XLogP2.60
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845354
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304079
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927353
5-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60917244
6-chlorohexyl 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine-1-carboxylate
CID 6734023
[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959871
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 8587506
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3150606
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine (CID 782375) is 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2cc(OC)c(OC)cc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine?
The InChIKey is NPJIGTSWJRKSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-17-5-7-18(8-6-17)11-12-9-14(19-2)15(20-3)10-13(12)16/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine?
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine has a molecular weight of 343.27 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 782375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).