1-(2,4-dimethoxyphenyl)piperazine

C12H18N2O2 — CID 2736204

IUPAC1-(2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)c(OC)c1
InChIInChI=1S/C12H18N2O2/c1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyXZXCBTBAADXWDD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.11
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)piperazine

1-(2,4-dimethoxyphenyl)piperazine (PubChem CID 2736204) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)piperazine
PubChem CID2736204
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNCC2)c(OC)c1
InChIInChI=1S/C12H18N2O2/c1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeyXZXCBTBAADXWDD-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)piperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)piperazine (CID 2736204) is 1-(2,4-dimethoxyphenyl)piperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)piperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)piperazine is COc1ccc(N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)piperazine?
The InChIKey is XZXCBTBAADXWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-10-3-4-11(12(9-10)16-2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)piperazine?
1-(2,4-dimethoxyphenyl)piperazine has a molecular weight of 222.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)piperazine is sourced from PubChem (CID 2736204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).