1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine

C13H19BrN2O — CID 126963334

IUPAC1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN2O/c1-17-11-10-15-6-8-16(9-7-15)13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKeyNRRNOPQGYCCEHR-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.22
Rot. Bonds4

About 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine

1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine (PubChem CID 126963334) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
PubChem CID126963334
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H19BrN2O/c1-17-11-10-15-6-8-16(9-7-15)13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKeyNRRNOPQGYCCEHR-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
4-[4-(2-methoxyethyl)piperazin-1-yl]benzonitrile
CID 131887743
2-[4-(4-bromophenyl)piperazin-1-yl]ethanol
CID 82124353
4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218
5-bromo-2-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 117013659
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(methylsulfamoyl)aniline
CID 110627180
1-[4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenyl]ethanone
CID 8591809
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
CID 22760363
3-[4-(4-bromophenyl)piperazin-1-yl]propanoic acid
CID 82124984
sodium (E)-2-cyano-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]ethenolate
CID 68701865
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
CID 110627182

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine (CID 126963334) is 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine is COCCN1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine?
The InChIKey is NRRNOPQGYCCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-17-11-10-15-6-8-16(9-7-15)13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine?
1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine has a molecular weight of 299.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 126963334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).