1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine

C15H23BrN2O — CID 86795936

IUPAC1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(CCc2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-19-12-11-18-9-7-17(8-10-18)6-5-14-3-2-4-15(16)13-14/h2-4,13H,5-12H2,1H3
InChIKeyGPGQCKAQZQLTFY-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.26
Rot. Bonds6

About 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine

1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine (PubChem CID 86795936) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine
PubChem CID86795936
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(CCc2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-19-12-11-18-9-7-17(8-10-18)6-5-14-3-2-4-15(16)13-14/h2-4,13H,5-12H2,1H3
InChIKeyGPGQCKAQZQLTFY-UHFFFAOYSA-N
XLogP2.26
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
methyl 1-[2-(3-bromophenyl)ethyl]piperidine-4-carboperoxoate
CID 155156067
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
1-bromo-3-[2-(methoxymethoxy)ethyl]benzene
CID 22314975
1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
CID 126963334
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
5-bromo-2-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 117013659
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
1-[2-(3-bromophenyl)ethyl]piperidin-3-amine
CID 82160236
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230425
3-[(3-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300974
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 65349890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine (CID 86795936) is 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(CCc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is GPGQCKAQZQLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-19-12-11-18-9-7-17(8-10-18)6-5-14-3-2-4-15(16)13-14/h2-4,13H,5-12H2,1H3.
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine?
1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 327.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 86795936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).