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

C22H30N2O4 — CID 1126281

IUPAC1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1
InChIInChI=1S/C22H30N2O4/c1-25-19-7-5-17(6-8-19)15-23-9-11-24(12-10-23)16-18-13-21(27-3)22(28-4)14-20(18)26-2/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKeyYJFVELDWSVUCDY-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.04
Rot. Bonds8

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

1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 1126281) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID1126281
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1
InChIInChI=1S/C22H30N2O4/c1-25-19-7-5-17(6-8-19)15-23-9-11-24(12-10-23)16-18-13-21(27-3)22(28-4)14-20(18)26-2/h5-8,13-14H,9-12,15-16H2,1-4H3
InChIKeyYJFVELDWSVUCDY-UHFFFAOYSA-N
XLogP3.04
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine (CID 1126281) is 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is YJFVELDWSVUCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-25-19-7-5-17(6-8-19)15-23-9-11-24(12-10-23)16-18-13-21(27-3)22(28-4)14-20(18)26-2/h5-8,13-14H,9-12,15-16H2,1-4H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 386.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1126281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).