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

C21H27BrN2O — CID 22760363

IUPAC1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(C)c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C21H27BrN2O/c1-17(24-13-11-23(12-14-24)15-16-25-2)18-3-5-19(6-4-18)20-7-9-21(22)10-8-20/h3-10,17H,11-16H2,1-2H3
InChIKeyNVDJFIRWTNZMIY-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.44
Rot. Bonds6

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

1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine (PubChem CID 22760363) has the molecular formula C21H27BrN2O and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
PubChem CID22760363
Molecular FormulaC21H27BrN2O
Molecular Weight403.36 g/mol
Exact Mass402.13
IUPAC Name1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(C(C)c2ccc(-c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C21H27BrN2O/c1-17(24-13-11-23(12-14-24)15-16-25-2)18-3-5-19(6-4-18)20-7-9-21(22)10-8-20/h3-10,17H,11-16H2,1-2H3
InChIKeyNVDJFIRWTNZMIY-UHFFFAOYSA-N
XLogP4.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-4-(2-methoxyethyl)piperazine
CID 126963334
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
CID 86894996
(2R)-2-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 124512123
1-[1-(4-bromophenyl)ethyl]-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120903857
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
2-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]ethyl 3-(furan-3-yl)-1H-pyrazole-5-carboxylate;2,2,2-trifluoroacetic acid
CID 167887431
5-bromo-2-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 117013659
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine
CID 97214554

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine (CID 22760363) is 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(C(C)c2ccc(-c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is NVDJFIRWTNZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O/c1-17(24-13-11-23(12-14-24)15-16-25-2)18-3-5-19(6-4-18)20-7-9-21(22)10-8-20/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine?
1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 403.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-bromophenyl)phenyl]ethyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 22760363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).