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

C20H25BrN2O2 — CID 10179408

IUPAC1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1
InChIInChI=1S/C20H25BrN2O2/c1-15(16-4-7-18(24-2)8-5-16)22-10-12-23(13-11-22)17-6-9-19(21)20(14-17)25-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyHIFVXCSVRXZHRA-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.35
Rot. Bonds5

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

1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 10179408) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID10179408
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1
InChIInChI=1S/C20H25BrN2O2/c1-15(16-4-7-18(24-2)8-5-16)22-10-12-23(13-11-22)17-6-9-19(21)20(14-17)25-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyHIFVXCSVRXZHRA-UHFFFAOYSA-N
XLogP4.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine (CID 10179408) is 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine is COc1ccc(C(C)N2CCN(c3ccc(Br)c(OC)c3)CC2)cc1.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is HIFVXCSVRXZHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-15(16-4-7-18(24-2)8-5-16)22-10-12-23(13-11-22)17-6-9-19(21)20(14-17)25-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine?
1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 405.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-4-[1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 10179408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).