1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine

C13H19FN2 — CID 177274253

IUPAC1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
SMILESCc1ccc(N2CCN(C)CC2C)c(F)c1
InChIInChI=1S/C13H19FN2/c1-10-4-5-13(12(14)8-10)16-7-6-15(3)9-11(16)2/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyGCPAFAXDPJILQT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds1

About 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine

1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine (PubChem CID 177274253) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
PubChem CID177274253
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
SMILESCc1ccc(N2CCN(C)CC2C)c(F)c1
InChIInChI=1S/C13H19FN2/c1-10-4-5-13(12(14)8-10)16-7-6-15(3)9-11(16)2/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyGCPAFAXDPJILQT-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine (CID 177274253) is 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine is Cc1ccc(N2CCN(C)CC2C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine?
The InChIKey is GCPAFAXDPJILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-4-5-13(12(14)8-10)16-7-6-15(3)9-11(16)2/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine?
1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine is sourced from PubChem (CID 177274253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).