2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C22H30N2O3 — CID 120769082

IUPAC2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCCc1ccc(C2CNCCN2Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C22H30N2O3/c1-5-16-6-8-17(9-7-16)19-14-23-12-13-24(19)15-18-10-11-20(25-2)22(27-4)21(18)26-3/h6-11,19,23H,5,12-15H2,1-4H3
InChIKeyFUBNOOCIQJMXBM-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.42
Rot. Bonds7

About 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 120769082) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID120769082
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCCc1ccc(C2CNCCN2Cc2ccc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C22H30N2O3/c1-5-16-6-8-17(9-7-16)19-14-23-12-13-24(19)15-18-10-11-20(25-2)22(27-4)21(18)26-3/h6-11,19,23H,5,12-15H2,1-4H3
InChIKeyFUBNOOCIQJMXBM-UHFFFAOYSA-N
XLogP3.42
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120769026
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767853
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
2-(4-ethylphenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120769132
4-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]benzamide;hydrochloride
CID 120758148
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methylpyrazine;dihydrochloride
CID 120758162
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
3-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole;hydrochloride
CID 120758108
1-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910405
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 120769082) is 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is CCc1ccc(C2CNCCN2Cc2ccc(OC)c(OC)c2OC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is FUBNOOCIQJMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-16-6-8-17(9-7-16)19-14-23-12-13-24(19)15-18-10-11-20(25-2)22(27-4)21(18)26-3/h6-11,19,23H,5,12-15H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 370.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 120769082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).