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

C22H27BrN2O3 — CID 69223946

IUPAC1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
SMILESCOc1cc(N2CCN(C(C)=Cc3ccc(OC)c(OC)c3)CC2)ccc1Br
InChIInChI=1S/C22H27BrN2O3/c1-16(13-17-5-8-20(26-2)22(14-17)28-4)24-9-11-25(12-10-24)18-6-7-19(23)21(15-18)27-3/h5-8,13-15H,9-12H2,1-4H3
InChIKeyOYIICVKJIUWQHH-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.66
Rot. Bonds6

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

1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine (PubChem CID 69223946) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
PubChem CID69223946
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
SMILESCOc1cc(N2CCN(C(C)=Cc3ccc(OC)c(OC)c3)CC2)ccc1Br
InChIInChI=1S/C22H27BrN2O3/c1-16(13-17-5-8-20(26-2)22(14-17)28-4)24-9-11-25(12-10-24)18-6-7-19(23)21(15-18)27-3/h5-8,13-15H,9-12H2,1-4H3
InChIKeyOYIICVKJIUWQHH-UHFFFAOYSA-N
XLogP4.66
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 57442580
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69222365
(E)-3-(3,4-dimethoxyphenyl)-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 84579001
cyclohexyl-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 110363777
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-(4-bromo-3-methoxyphenyl)-4-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)piperazine
CID 10114590
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine (CID 69223946) is 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine is COc1cc(N2CCN(C(C)=Cc3ccc(OC)c(OC)c3)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
The InChIKey is OYIICVKJIUWQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-16(13-17-5-8-20(26-2)22(14-17)28-4)24-9-11-25(12-10-24)18-6-7-19(23)21(15-18)27-3/h5-8,13-15H,9-12H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine?
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine has a molecular weight of 447.37 g/mol, XLogP of 4.66, 6 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-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine is sourced from PubChem (CID 69223946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).