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

C21H26N2O — CID 2244840

IUPAC1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccccc1N1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-18(16-19-8-4-3-5-9-19)17-22-12-14-23(15-13-22)20-10-6-7-11-21(20)24-2/h3-11,16H,12-15,17H2,1-2H3/b18-16+
InChIKeyXQZHFUGHTZTKPS-FBMGVBCBSA-N
MW322.45 g/mol
LogP3.92
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (PubChem CID 2244840) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
PubChem CID2244840
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccccc1N1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C21H26N2O/c1-18(16-19-8-4-3-5-9-19)17-22-12-14-23(15-13-22)20-10-6-7-11-21(20)24-2/h3-11,16H,12-15,17H2,1-2H3/b18-16+
InChIKeyXQZHFUGHTZTKPS-FBMGVBCBSA-N
XLogP3.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine (CID 2244840) is 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is COc1ccccc1N1CCN(C/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
The InChIKey is XQZHFUGHTZTKPS-FBMGVBCBSA-N. The full InChI is InChI=1S/C21H26N2O/c1-18(16-19-8-4-3-5-9-19)17-22-12-14-23(15-13-22)20-10-6-7-11-21(20)24-2/h3-11,16H,12-15,17H2,1-2H3/b18-16+.
What are the key properties of 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine?
1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 2244840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).