1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium

C20H27N2O2+ — CID 6938160

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
SMILESCOc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc(OC)c1
InChIInChI=1S/C20H26N2O2/c1-16-6-4-5-7-20(16)22-10-8-21(9-11-22)15-17-12-18(23-2)14-19(13-17)24-3/h4-7,12-14H,8-11,15H2,1-3H3/p+1
InChIKeyPUMQJOHJSDUXQC-UHFFFAOYSA-O
MW327.45 g/mol
LogP1.92
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium

1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium (PubChem CID 6938160) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
PubChem CID6938160
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium
SMILESCOc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc(OC)c1
InChIInChI=1S/C20H26N2O2/c1-16-6-4-5-7-20(16)22-10-8-21(9-11-22)15-17-12-18(23-2)14-19(13-17)24-3/h4-7,12-14H,8-11,15H2,1-3H3/p+1
InChIKeyPUMQJOHJSDUXQC-UHFFFAOYSA-O
XLogP1.92
TPSA26.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium
CID 6940677
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-ethoxyphenyl)piperazin-1-ium
CID 6975358
1-[(4-methoxy-3-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 6944346
1-(2-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium
CID 6983019
2,6-dimethoxy-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 6961984
1-(2-chlorophenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6936837
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]piperazin-4-ium
CID 6940048
1-(2-ethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium
CID 6940003
N-(4-methoxyphenyl)-4-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine
CID 8725773
1-(2-methylphenyl)-4-(thiophen-2-ylmethyl)piperazin-4-ium
CID 6983170
1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 78320650
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium (CID 6938160) is 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium is COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium?
The InChIKey is PUMQJOHJSDUXQC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-16-6-4-5-7-20(16)22-10-8-21(9-11-22)15-17-12-18(23-2)14-19(13-17)24-3/h4-7,12-14H,8-11,15H2,1-3H3/p+1.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium?
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium has a molecular weight of 327.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium is sourced from PubChem (CID 6938160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).