1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine

C22H27BrN2O3 — CID 69222365

IUPAC1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
SMILESC=C(Cc1ccc(OC)cc1OC)N1CCN(c2ccc(Br)c(OC)c2)CC1
InChIInChI=1S/C22H27BrN2O3/c1-16(13-17-5-7-19(26-2)15-21(17)27-3)24-9-11-25(12-10-24)18-6-8-20(23)22(14-18)28-4/h5-8,14-15H,1,9-13H2,2-4H3
InChIKeyHBDWTLXFCUAMNB-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.35
Rot. Bonds7

About 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine

1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine (PubChem CID 69222365) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
PubChem CID69222365
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
SMILESC=C(Cc1ccc(OC)cc1OC)N1CCN(c2ccc(Br)c(OC)c2)CC1
InChIInChI=1S/C22H27BrN2O3/c1-16(13-17-5-7-19(26-2)15-21(17)27-3)24-9-11-25(12-10-24)18-6-8-20(23)22(14-18)28-4/h5-8,14-15H,1,9-13H2,2-4H3
InChIKeyHBDWTLXFCUAMNB-UHFFFAOYSA-N
XLogP4.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]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

2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
CID 22021972
1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 10179408
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 57442580
1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 8587506
2-(2,4-dimethoxyphenyl)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 70746036
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69223946
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
1-but-1-en-2-yl-4-(3-fluoro-4-methoxyphenyl)piperazine
CID 70346613
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine (CID 69222365) is 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine is C=C(Cc1ccc(OC)cc1OC)N1CCN(c2ccc(Br)c(OC)c2)CC1.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
The InChIKey is HBDWTLXFCUAMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-16(13-17-5-7-19(26-2)15-21(17)27-3)24-9-11-25(12-10-24)18-6-8-20(23)22(14-18)28-4/h5-8,14-15H,1,9-13H2,2-4H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine has a molecular weight of 447.37 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine is sourced from PubChem (CID 69222365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).