1-(3,4-dimethoxyphenyl)-4-methylpiperazine

C13H20N2O2 — CID 21363782

IUPAC1-(3,4-dimethoxyphenyl)-4-methylpiperazine
SMILESCOc1ccc(N2CCN(C)CC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)11-4-5-12(16-2)13(10-11)17-3/h4-5,10H,6-9H2,1-3H3
InChIKeyMNISEMOJDZIGCN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.46
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-4-methylpiperazine

1-(3,4-dimethoxyphenyl)-4-methylpiperazine (PubChem CID 21363782) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-methylpiperazine
PubChem CID21363782
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3,4-dimethoxyphenyl)-4-methylpiperazine
SMILESCOc1ccc(N2CCN(C)CC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)11-4-5-12(16-2)13(10-11)17-3/h4-5,10H,6-9H2,1-3H3
InChIKeyMNISEMOJDZIGCN-UHFFFAOYSA-N
XLogP1.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
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-(3,4-dimethoxyphenyl)-4-methylpiperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-methylpiperazine (CID 21363782) is 1-(3,4-dimethoxyphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-methylpiperazine is COc1ccc(N2CCN(C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-methylpiperazine?
The InChIKey is MNISEMOJDZIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)11-4-5-12(16-2)13(10-11)17-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-methylpiperazine?
1-(3,4-dimethoxyphenyl)-4-methylpiperazine has a molecular weight of 236.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-methylpiperazine is sourced from PubChem (CID 21363782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).