1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine

C21H27BrN2O — CID 10644841

IUPAC1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(CCc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H27BrN2O/c1-17(2)25-21-6-4-3-5-20(21)24-15-13-23(14-16-24)12-11-18-7-9-19(22)10-8-18/h3-10,17H,11-16H2,1-2H3
InChIKeyFQNASLCUUKLFTK-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.60
Rot. Bonds6

About 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine

1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (PubChem CID 10644841) has the molecular formula C21H27BrN2O and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
PubChem CID10644841
Molecular FormulaC21H27BrN2O
Molecular Weight403.36 g/mol
Exact Mass402.13
IUPAC Name1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
SMILESCC(C)Oc1ccccc1N1CCN(CCc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H27BrN2O/c1-17(2)25-21-6-4-3-5-20(21)24-15-13-23(14-16-24)12-11-18-7-9-19(22)10-8-18/h3-10,17H,11-16H2,1-2H3
InChIKeyFQNASLCUUKLFTK-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)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-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10520288
N-[2-(4-fluorophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113109204
1-[2-[4-[(3,5-dimethoxyphenoxy)methyl]phenyl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 118720221
N-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]butyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 163493568
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
1-(2-methoxyphenyl)-4-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 18986838
1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
CID 10781910
2-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide;hydroiodide
CID 10119252
1-(5-fluoro-2-propan-2-yloxyphenyl)-4-propylpiperazine
CID 91805028
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 11661747

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine (CID 10644841) is 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is CC(C)Oc1ccccc1N1CCN(CCc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
The InChIKey is FQNASLCUUKLFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O/c1-17(2)25-21-6-4-3-5-20(21)24-15-13-23(14-16-24)12-11-18-7-9-19(22)10-8-18/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine?
1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine has a molecular weight of 403.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine is sourced from PubChem (CID 10644841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).