1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine

C21H28N2O — CID 883444

IUPAC1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-3-24-21-10-8-19(9-11-21)16-22-12-14-23(15-13-22)17-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3
InChIKeyZIVIVDYCEMTWPW-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.71
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine

1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine (PubChem CID 883444) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
PubChem CID883444
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-3-24-21-10-8-19(9-11-21)16-22-12-14-23(15-13-22)17-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3
InChIKeyZIVIVDYCEMTWPW-UHFFFAOYSA-N
XLogP3.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-[(4-ethylphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 90483325
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 787263
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
2,4-bis[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-1,5-bis(2-methylphenoxy)pentan-3-one
CID 174716687
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
2-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 110398838
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine (CID 883444) is 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine is CCOc1ccc(CN2CCN(Cc3ccccc3C)CC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The InChIKey is ZIVIVDYCEMTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-24-21-10-8-19(9-11-21)16-22-12-14-23(15-13-22)17-20-7-5-4-6-18(20)2/h4-11H,3,12-17H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 883444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).