1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine

C21H27BrN2O3 — CID 22021972

IUPAC1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1cc(OC)cc(C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)c1
InChIInChI=1S/C21H27BrN2O3/c1-15(16-11-18(25-2)14-19(12-16)26-3)23-7-9-24(10-8-23)17-5-6-20(22)21(13-17)27-4/h5-6,11-15H,7-10H2,1-4H3
InChIKeyCAFWPWDQYZYZCV-UHFFFAOYSA-N
MW435.36 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine

1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine (PubChem CID 22021972) has the molecular formula C21H27BrN2O3 and a molecular weight of 435.36 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
PubChem CID22021972
Molecular FormulaC21H27BrN2O3
Molecular Weight435.36 g/mol
Exact Mass434.12
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine
SMILESCOc1cc(OC)cc(C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)c1
InChIInChI=1S/C21H27BrN2O3/c1-15(16-11-18(25-2)14-19(12-16)26-3)23-7-9-24(10-8-23)17-5-6-20(22)21(13-17)27-4/h5-6,11-15H,7-10H2,1-4H3
InChIKeyCAFWPWDQYZYZCV-UHFFFAOYSA-N
XLogP4.36
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
CID 10179408
[2-bromo-5-[4-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperazin-1-yl]phenyl] hypochlorite
CID 142187551
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
1-[4-bromo-3-(trifluoromethyl)phenyl]-4-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 69155311
1-(4-bromo-3-methoxyphenyl)-4-[3-(2,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69222365
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-methylbenzaldehyde
CID 2771265
[2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)phenyl]hydrazine
CID 91547885
1-(3-methoxy-4-nitrosophenyl)-4-propan-2-ylpiperazine
CID 88972457
1-[4-(difluoromethylsulfonyl)phenyl]-4-[1-(3-methoxyphenyl)ethyl]piperazine
CID 133299610
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)prop-1-en-2-yl]piperazine
CID 69223946
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine (CID 22021972) is 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine is COc1cc(OC)cc(C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)c1.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is CAFWPWDQYZYZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3/c1-15(16-11-18(25-2)14-19(12-16)26-3)23-7-9-24(10-8-23)17-5-6-20(22)21(13-17)27-4/h5-6,11-15H,7-10H2,1-4H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine?
1-(4-bromo-3-methoxyphenyl)-4-[1-(3,5-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 435.36 g/mol, XLogP of 4.36, 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-(3,5-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 22021972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).