6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine

C12H16ClFN2 — CID 82386691

IUPAC6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCC(c2ccc(Cl)c(F)c2)N1
InChIInChI=1S/C12H16ClFN2/c1-12(2)7-15-6-11(16-12)8-3-4-9(13)10(14)5-8/h3-5,11,15-16H,6-7H2,1-2H3
InChIKeyXFTGEBSAGXDINJ-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.49
Rot. Bonds1

About 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine

6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine (PubChem CID 82386691) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
PubChem CID82386691
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
SMILESCC1(C)CNCC(c2ccc(Cl)c(F)c2)N1
InChIInChI=1S/C12H16ClFN2/c1-12(2)7-15-6-11(16-12)8-3-4-9(13)10(14)5-8/h3-5,11,15-16H,6-7H2,1-2H3
InChIKeyXFTGEBSAGXDINJ-UHFFFAOYSA-N
XLogP2.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine (CID 82386691) is 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine is CC1(C)CNCC(c2ccc(Cl)c(F)c2)N1.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine?
The InChIKey is XFTGEBSAGXDINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-12(2)7-15-6-11(16-12)8-3-4-9(13)10(14)5-8/h3-5,11,15-16H,6-7H2,1-2H3.
What are the key properties of 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine?
6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine has a molecular weight of 242.72 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 82386691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).