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

C13H20N2 — CID 21363783

IUPAC1-(3,4-dimethylphenyl)-4-methylpiperazine
SMILESCc1ccc(N2CCN(C)CC2)cc1C
InChIInChI=1S/C13H20N2/c1-11-4-5-13(10-12(11)2)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyHTRDGRJOXFZKCH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.06
Rot. Bonds1

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

1-(3,4-dimethylphenyl)-4-methylpiperazine (PubChem CID 21363783) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methylpiperazine
PubChem CID21363783
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(3,4-dimethylphenyl)-4-methylpiperazine
SMILESCc1ccc(N2CCN(C)CC2)cc1C
InChIInChI=1S/C13H20N2/c1-11-4-5-13(10-12(11)2)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyHTRDGRJOXFZKCH-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methylpiperazine (CID 21363783) is 1-(3,4-dimethylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methylpiperazine is Cc1ccc(N2CCN(C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methylpiperazine?
The InChIKey is HTRDGRJOXFZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-5-13(10-12(11)2)15-8-6-14(3)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methylpiperazine?
1-(3,4-dimethylphenyl)-4-methylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methylpiperazine is sourced from PubChem (CID 21363783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).