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

C21H26N2 — CID 1377377

IUPAC1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H26N2/c1-19-8-5-6-12-21(19)18-23-16-14-22(15-17-23)13-7-11-20-9-3-2-4-10-20/h2-12H,13-18H2,1H3/b11-7+
InChIKeyDFOOSEXUUKKUER-YRNVUSSQSA-N
MW306.45 g/mol
LogP3.83
Rot. Bonds5

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

1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 1377377) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID1377377
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H26N2/c1-19-8-5-6-12-21(19)18-23-16-14-22(15-17-23)13-7-11-20-9-3-2-4-10-20/h2-12H,13-18H2,1H3/b11-7+
InChIKeyDFOOSEXUUKKUER-YRNVUSSQSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 92904353
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 1376874
1-[(Z)-3-phenylprop-2-enyl]-4-[(2-prop-2-enoxyphenyl)methyl]piperazine
CID 2244938
1-(2-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione
CID 110414418
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821
1-[[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-pyridinyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68692063
5,7-dimethyl-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 665940
1-(3-phenylprop-2-enyl)-4-[[2-(1-propan-2-yltetrazol-5-yl)phenyl]methyl]piperazine
CID 68694318
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 1377377) is 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is Cc1ccccc1CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is DFOOSEXUUKKUER-YRNVUSSQSA-N. The full InChI is InChI=1S/C21H26N2/c1-19-8-5-6-12-21(19)18-23-16-14-22(15-17-23)13-7-11-20-9-3-2-4-10-20/h2-12H,13-18H2,1H3/b11-7+.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 1377377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).