1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium

C20H34N2O2+2 — CID 6948507

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1
InChIInChI=1S/C20H32N2O2/c1-16-5-4-6-18(13-16)22-11-9-21(10-12-22)15-17-7-8-19(23-2)14-20(17)24-3/h7-8,14,16,18H,4-6,9-13,15H2,1-3H3/p+2/t16-,18+/m0/s1
InChIKeyDAHPFVIQICQALY-FUHWJXTLSA-P
MW334.50 g/mol
LogP0.57
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium

1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium (PubChem CID 6948507) has the molecular formula C20H34N2O2+2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium
PubChem CID6948507
Molecular FormulaC20H34N2O2+2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium
SMILESCOc1ccc(C[NH+]2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1
InChIInChI=1S/C20H32N2O2/c1-16-5-4-6-18(13-16)22-11-9-21(10-12-22)15-17-7-8-19(23-2)14-20(17)24-3/h7-8,14,16,18H,4-6,9-13,15H2,1-3H3/p+2/t16-,18+/m0/s1
InChIKeyDAHPFVIQICQALY-FUHWJXTLSA-P
XLogP0.57
TPSA27.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,3S)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6969723
1-(3-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755703
1-[(1R,3S)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6970842
1-[(2,3-dimethoxyphenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 6948179
1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
CID 4745687
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium
CID 6982029
1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium
CID 4754357
1-[(2-chlorophenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7108968
1-[(1R,3R)-3-methylcyclohexyl]-4-(naphthalen-1-ylmethyl)piperazine-1,4-diium
CID 7344676
1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4743388
1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7325626
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium (CID 6948507) is 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium is COc1ccc(C[NH+]2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium?
The InChIKey is DAHPFVIQICQALY-FUHWJXTLSA-P. The full InChI is InChI=1S/C20H32N2O2/c1-16-5-4-6-18(13-16)22-11-9-21(10-12-22)15-17-7-8-19(23-2)14-20(17)24-3/h7-8,14,16,18H,4-6,9-13,15H2,1-3H3/p+2/t16-,18+/m0/s1.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium?
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium has a molecular weight of 334.50 g/mol, XLogP of 0.57, 5 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-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium is sourced from PubChem (CID 6948507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).