1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine

C22H27BrN2O2 — CID 10224672

IUPAC1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine
SMILESCCOc1cccc(/C=C/CN2CCN(c3ccc(Br)c(OC)c3)CC2)c1
InChIInChI=1S/C22H27BrN2O2/c1-3-27-20-8-4-6-18(16-20)7-5-11-24-12-14-25(15-13-24)19-9-10-21(23)22(17-19)26-2/h4-10,16-17H,3,11-15H2,1-2H3/b7-5+
InChIKeyGLWHLLVRIKSECR-FNORWQNLSA-N
MW431.37 g/mol
LogP4.69
Rot. Bonds7

About 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine

1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine (PubChem CID 10224672) has the molecular formula C22H27BrN2O2 and a molecular weight of 431.37 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine
PubChem CID10224672
Molecular FormulaC22H27BrN2O2
Molecular Weight431.37 g/mol
Exact Mass430.13
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine
SMILESCCOc1cccc(/C=C/CN2CCN(c3ccc(Br)c(OC)c3)CC2)c1
InChIInChI=1S/C22H27BrN2O2/c1-3-27-20-8-4-6-18(16-20)7-5-11-24-12-14-25(15-13-24)19-9-10-21(23)22(17-19)26-2/h4-10,16-17H,3,11-15H2,1-2H3/b7-5+
InChIKeyGLWHLLVRIKSECR-FNORWQNLSA-N
XLogP4.69
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.69
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-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine (CID 10224672) is 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine is CCOc1cccc(/C=C/CN2CCN(c3ccc(Br)c(OC)c3)CC2)c1.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine?
The InChIKey is GLWHLLVRIKSECR-FNORWQNLSA-N. The full InChI is InChI=1S/C22H27BrN2O2/c1-3-27-20-8-4-6-18(16-20)7-5-11-24-12-14-25(15-13-24)19-9-10-21(23)22(17-19)26-2/h4-10,16-17H,3,11-15H2,1-2H3/b7-5+.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine?
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine has a molecular weight of 431.37 g/mol, XLogP of 4.69, 7 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-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine is sourced from PubChem (CID 10224672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).