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

C21H26N2 — CID 1376911

IUPAC1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2/c1-19-7-5-10-21(17-19)18-23-15-13-22(14-16-23)12-6-11-20-8-3-2-4-9-20/h2-11,17H,12-16,18H2,1H3/b11-6+
InChIKeyKXRADLKLVCTABH-IZZDOVSWSA-N
MW306.45 g/mol
LogP3.83
Rot. Bonds5

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

1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 1376911) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID1376911
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2/c1-19-7-5-10-21(17-19)18-23-15-13-22(14-16-23)12-6-11-20-8-3-2-4-9-20/h2-11,17H,12-16,18H2,1H3/b11-6+
InChIKeyKXRADLKLVCTABH-IZZDOVSWSA-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-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327108
3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzonitrile
CID 23965850
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
methyl 3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzoate
CID 8544540
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
1-[(3-bromo-4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1069664
3-[(3-methylphenyl)methyl]-4-oxo-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butanoic acid
CID 6734987
1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327107
1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 1067952
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 38103557

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 1376911) is 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is Cc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is KXRADLKLVCTABH-IZZDOVSWSA-N. The full InChI is InChI=1S/C21H26N2/c1-19-7-5-10-21(17-19)18-23-15-13-22(14-16-23)12-6-11-20-8-3-2-4-9-20/h2-11,17H,12-16,18H2,1H3/b11-6+.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[(3-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-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 1376911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).