1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium

C20H34N2O2+2 — CID 4745687

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
SMILESCOc1ccc(OC)c(C[NH+]2CC[NH+](C3CCC(C)CC3)CC2)c1
InChIInChI=1S/C20H32N2O2/c1-16-4-6-18(7-5-16)22-12-10-21(11-13-22)15-17-14-19(23-2)8-9-20(17)24-3/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3/p+2
InChIKeyMSVGXDWYCVIKBZ-UHFFFAOYSA-P
MW334.50 g/mol
LogP0.57
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium

1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium (PubChem CID 4745687) has the molecular formula C20H34N2O2+2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
PubChem CID4745687
Molecular FormulaC20H34N2O2+2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium
SMILESCOc1ccc(OC)c(C[NH+]2CC[NH+](C3CCC(C)CC3)CC2)c1
InChIInChI=1S/C20H32N2O2/c1-16-4-6-18(7-5-16)22-12-10-21(11-13-22)15-17-14-19(23-2)8-9-20(17)24-3/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3/p+2
InChIKeyMSVGXDWYCVIKBZ-UHFFFAOYSA-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

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Related Compounds

1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-ethylpiperazine-1,4-diium
CID 4754357
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine-1,4-diium
CID 6948507
1-[(2,4-dimethoxyphenyl)methyl]-4-(4-phenylcyclohexyl)piperazine-1,4-diium
CID 6982029
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7098465
(3S)-1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-ol
CID 2173552
1-[(2,5-dimethoxyphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium
CID 4741512
1-[(2,5-dimethoxyphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine-1,4-diium
CID 4741913
1-[(1S,3S)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6969723
1-[(1R,3S)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 6970842
1-(3-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755703
benzyl-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-methylazanium
CID 7325691
1-methyl-4-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium
CID 7344854

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium (CID 4745687) is 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium is COc1ccc(OC)c(C[NH+]2CC[NH+](C3CCC(C)CC3)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
The InChIKey is MSVGXDWYCVIKBZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H32N2O2/c1-16-4-6-18(7-5-16)22-12-10-21(11-13-22)15-17-14-19(23-2)8-9-20(17)24-3/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3/p+2.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium?
1-[(2,5-dimethoxyphenyl)methyl]-4-(4-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-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylcyclohexyl)piperazine-1,4-diium is sourced from PubChem (CID 4745687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).