1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine

C12H16ClFN2 — CID 84801852

IUPAC1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine
SMILESCc1cc(N2CCNCC2)c(C)c(F)c1Cl
InChIInChI=1S/C12H16ClFN2/c1-8-7-10(9(2)12(14)11(8)13)16-5-3-15-4-6-16/h7,15H,3-6H2,1-2H3
InChIKeyOLNBKVFXEJAANI-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.51
Rot. Bonds1

About 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine

1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine (PubChem CID 84801852) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine
PubChem CID84801852
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine
SMILESCc1cc(N2CCNCC2)c(C)c(F)c1Cl
InChIInChI=1S/C12H16ClFN2/c1-8-7-10(9(2)12(14)11(8)13)16-5-3-15-4-6-16/h7,15H,3-6H2,1-2H3
InChIKeyOLNBKVFXEJAANI-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
CID 84800718
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
CID 84802721
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
1-(3-chloro-2,4-difluorophenyl)piperazine
CID 83291434
4,5-dimethyl-2-piperazin-1-ylphenol
CID 82610692
2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline
CID 91672020
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
2-fluoro-3-methyl-4-piperazin-1-ylbenzonitrile
CID 177332812
5,6-dimethyl-4-piperazin-1-ylpyridin-2-amine
CID 175106562
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
1-(2-chlorophenyl)piperazine
CID 162116490

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine (CID 84801852) is 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine is Cc1cc(N2CCNCC2)c(C)c(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine?
The InChIKey is OLNBKVFXEJAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-8-7-10(9(2)12(14)11(8)13)16-5-3-15-4-6-16/h7,15H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine?
1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine has a molecular weight of 242.72 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 84801852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).