1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine

C20H26N2O3 — CID 792522

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C20H26N2O3/c1-23-18-9-5-4-8-17(18)22-13-11-21(12-14-22)15-16-7-6-10-19(24-2)20(16)25-3/h4-10H,11-15H2,1-3H3
InChIKeyDMWDZPMAUFSSIX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.03
Rot. Bonds6

About 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 792522) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID792522
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C20H26N2O3/c1-23-18-9-5-4-8-17(18)22-13-11-21(12-14-22)15-16-7-6-10-19(24-2)20(16)25-3/h4-10H,11-15H2,1-3H3
InChIKeyDMWDZPMAUFSSIX-UHFFFAOYSA-N
XLogP3.03
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine (CID 792522) is 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DMWDZPMAUFSSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-23-18-9-5-4-8-17(18)22-13-11-21(12-14-22)15-16-7-6-10-19(24-2)20(16)25-3/h4-10H,11-15H2,1-3H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 342.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 792522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).