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

C20H23BrN2O — CID 10293563

IUPAC1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccc1Br
InChIInChI=1S/C20H23BrN2O/c1-24-20-16-18(9-10-19(20)21)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+
InChIKeyPJOJQQGJTFBSEF-VMPITWQZSA-N
MW387.32 g/mol
LogP4.29
Rot. Bonds5

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

1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 10293563) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID10293563
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccc1Br
InChIInChI=1S/C20H23BrN2O/c1-24-20-16-18(9-10-19(20)21)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+
InChIKeyPJOJQQGJTFBSEF-VMPITWQZSA-N
XLogP4.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]piperazine
CID 10224672
1-(3-bromo-4-methoxyphenyl)-4-(4-bromo-3-methoxyphenyl)piperazine
CID 69476818
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4807090
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 57442580
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
(2-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4177112
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
CID 57083687
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 10293563) is 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is PJOJQQGJTFBSEF-VMPITWQZSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-24-20-16-18(9-10-19(20)21)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10,16H,11-15H2,1H3/b8-5+.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 387.32 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 10293563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).