1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine

C14H20BrFN2 — CID 64934721

IUPAC1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(F)cc2Br)C(C)CN1
InChIInChI=1S/C14H20BrFN2/c1-4-14(3)9-18(10(2)8-17-14)13-6-5-11(16)7-12(13)15/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyHTHRCFIDBIRPBI-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.56
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine

1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64934721) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
PubChem CID64934721
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(F)cc2Br)C(C)CN1
InChIInChI=1S/C14H20BrFN2/c1-4-14(3)9-18(10(2)8-17-14)13-6-5-11(16)7-12(13)15/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyHTHRCFIDBIRPBI-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine (CID 64934721) is 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(c2ccc(F)cc2Br)C(C)CN1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is HTHRCFIDBIRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-4-14(3)9-18(10(2)8-17-14)13-6-5-11(16)7-12(13)15/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine?
1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 315.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64934721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).