6-(4-fluorophenyl)-1,2,2-trimethylpiperazine

C13H19FN2 — CID 166046489

IUPAC6-(4-fluorophenyl)-1,2,2-trimethylpiperazine
SMILESCN1C(c2ccc(F)cc2)CNCC1(C)C
InChIInChI=1S/C13H19FN2/c1-13(2)9-15-8-12(16(13)3)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyCQRUFXNPZSBLII-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.18
Rot. Bonds1

About 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine

6-(4-fluorophenyl)-1,2,2-trimethylpiperazine (PubChem CID 166046489) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,2,2-trimethylpiperazine
PubChem CID166046489
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name6-(4-fluorophenyl)-1,2,2-trimethylpiperazine
SMILESCN1C(c2ccc(F)cc2)CNCC1(C)C
InChIInChI=1S/C13H19FN2/c1-13(2)9-15-8-12(16(13)3)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKeyCQRUFXNPZSBLII-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine?
The IUPAC name of 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine (CID 166046489) is 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine.
What is the SMILES notation for 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine?
The canonical SMILES for 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine is CN1C(c2ccc(F)cc2)CNCC1(C)C.
What is the InChIKey of 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine?
The InChIKey is CQRUFXNPZSBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-13(2)9-15-8-12(16(13)3)10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine?
6-(4-fluorophenyl)-1,2,2-trimethylpiperazine has a molecular weight of 222.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,2,2-trimethylpiperazine is sourced from PubChem (CID 166046489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).