1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium

C22H32N2O2+2 — CID 4752528

IUPAC1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
SMILESCCOc1cc(C[NH+]2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OC
InChIInChI=1S/C22H30N2O2/c1-4-26-22-15-20(9-10-21(22)25-3)17-24-13-11-23(12-14-24)16-19-7-5-18(2)6-8-19/h5-10,15H,4,11-14,16-17H2,1-3H3/p+2
InChIKeyOVCYETWKZBOFFG-UHFFFAOYSA-P
MW356.51 g/mol
LogP0.89
Rot. Bonds7

About 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium

1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium (PubChem CID 4752528) has the molecular formula C22H32N2O2+2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
PubChem CID4752528
Molecular FormulaC22H32N2O2+2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
SMILESCCOc1cc(C[NH+]2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OC
InChIInChI=1S/C22H30N2O2/c1-4-26-22-15-20(9-10-21(22)25-3)17-24-13-11-23(12-14-24)16-19-7-5-18(2)6-8-19/h5-10,15H,4,11-14,16-17H2,1-3H3/p+2
InChIKeyOVCYETWKZBOFFG-UHFFFAOYSA-P
XLogP0.89
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6982173
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-1-ium-3-ylmethyl)piperazine-1,4-diium
CID 4741430
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7098465
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 7334786
1-(2-ethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6940003
1-benzyl-4-[(4-methoxy-3-methylphenyl)methyl]piperazine-1,4-diium
CID 6939901
[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxyphenyl)methanone
CID 4755638
1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate
CID 7297417
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8721026
1-[(3-chlorophenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4754999
1-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazin-1-ium
CID 4752534
1-[(3,4-dimethoxyphenyl)methyl]-4-ethylsulfonylpiperazin-1-ium
CID 4741964

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium (CID 4752528) is 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium is CCOc1cc(C[NH+]2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium?
The InChIKey is OVCYETWKZBOFFG-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H30N2O2/c1-4-26-22-15-20(9-10-21(22)25-3)17-24-13-11-23(12-14-24)16-19-7-5-18(2)6-8-19/h5-10,15H,4,11-14,16-17H2,1-3H3/p+2.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium?
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium has a molecular weight of 356.51 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 4752528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).