1-(4-methoxy-2-methylphenyl)-4-methylpiperazine

C13H20N2O — CID 21363831

IUPAC1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
SMILESCOc1ccc(N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C13H20N2O/c1-11-10-12(16-3)4-5-13(11)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyCXUMWAPPLPOIEX-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds2

About 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine

1-(4-methoxy-2-methylphenyl)-4-methylpiperazine (PubChem CID 21363831) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
PubChem CID21363831
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
SMILESCOc1ccc(N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C13H20N2O/c1-11-10-12(16-3)4-5-13(11)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
InChIKeyCXUMWAPPLPOIEX-UHFFFAOYSA-N
XLogP1.76
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxy-2-methylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine (CID 21363831) is 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine is COc1ccc(N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine?
The InChIKey is CXUMWAPPLPOIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-10-12(16-3)4-5-13(11)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine?
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine has a molecular weight of 220.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-4-methylpiperazine is sourced from PubChem (CID 21363831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).