1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C23H32N2O5 — CID 2873743

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C23H32N2O5/c1-26-19-6-7-20(27-2)18(14-19)16-25-10-8-24(9-11-25)15-17-12-21(28-3)23(30-5)22(13-17)29-4/h6-7,12-14H,8-11,15-16H2,1-5H3
InChIKeyIYHVYLZWLPTWRT-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.05
Rot. Bonds9

About 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 2873743) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID2873743
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1
InChIInChI=1S/C23H32N2O5/c1-26-19-6-7-20(27-2)18(14-19)16-25-10-8-24(9-11-25)15-17-12-21(28-3)23(30-5)22(13-17)29-4/h6-7,12-14H,8-11,15-16H2,1-5H3
InChIKeyIYHVYLZWLPTWRT-UHFFFAOYSA-N
XLogP3.05
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 2873743) is 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1ccc(OC)c(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is IYHVYLZWLPTWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-26-19-6-7-20(27-2)18(14-19)16-25-10-8-24(9-11-25)15-17-12-21(28-3)23(30-5)22(13-17)29-4/h6-7,12-14H,8-11,15-16H2,1-5H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 416.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2873743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).