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

C20H26N2O2 — CID 792721

IUPAC1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-9-8-18(20(14-19)24-2)16-22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyRBGJBTCSPSNVCP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.02
Rot. Bonds6

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

1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 792721) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID792721
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-9-8-18(20(14-19)24-2)16-22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3
InChIKeyRBGJBTCSPSNVCP-UHFFFAOYSA-N
XLogP3.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine (CID 792721) is 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is RBGJBTCSPSNVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-9-8-18(20(14-19)24-2)16-22-12-10-21(11-13-22)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3.
What are the key properties of 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 326.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 792721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).