1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium

C24H30N2O2+2 — CID 4755052

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+](Cc3ccc4ccccc4c3)CC2)c(OC)c1
InChIInChI=1S/C24H28N2O2/c1-27-23-10-9-22(24(16-23)28-2)18-26-13-11-25(12-14-26)17-19-7-8-20-5-3-4-6-21(20)15-19/h3-10,15-16H,11-14,17-18H2,1-2H3/p+2
InChIKeyQFEOPZFRNWLYER-UHFFFAOYSA-P
MW378.52 g/mol
LogP1.34
Rot. Bonds6

About 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium

1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium (PubChem CID 4755052) has the molecular formula C24H30N2O2+2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
PubChem CID4755052
Molecular FormulaC24H30N2O2+2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+](Cc3ccc4ccccc4c3)CC2)c(OC)c1
InChIInChI=1S/C24H28N2O2/c1-27-23-10-9-22(24(16-23)28-2)18-26-13-11-25(12-14-26)17-19-7-8-20-5-3-4-6-21(20)15-19/h3-10,15-16H,11-14,17-18H2,1-2H3/p+2
InChIKeyQFEOPZFRNWLYER-UHFFFAOYSA-P
XLogP1.34
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4743388
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755149
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7098465
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium
CID 6982029
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 4741913
1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4744293
1-[(4-chlorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6941527
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791
1-benzyl-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazine-1,4-diium
CID 7446384
1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 7319029
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium
CID 6948507
1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7325626

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium (CID 4755052) is 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium is COc1ccc(C[NH+]2CC[NH+](Cc3ccc4ccccc4c3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
The InChIKey is QFEOPZFRNWLYER-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H28N2O2/c1-27-23-10-9-22(24(16-23)28-2)18-26-13-11-25(12-14-26)17-19-7-8-20-5-3-4-6-21(20)15-19/h3-10,15-16H,11-14,17-18H2,1-2H3/p+2.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium has a molecular weight of 378.52 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium is sourced from PubChem (CID 4755052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).