1-(2,5-difluorophenyl)-3-ethylpiperazine

C12H16F2N2 — CID 64925171

IUPAC1-(2,5-difluorophenyl)-3-ethylpiperazine
SMILESCCC1CN(c2cc(F)ccc2F)CCN1
InChIInChI=1S/C12H16F2N2/c1-2-10-8-16(6-5-15-10)12-7-9(13)3-4-11(12)14/h3-4,7,10,15H,2,5-6,8H2,1H3
InChIKeyJMFKVXPEBFJKTJ-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,5-difluorophenyl)-3-ethylpiperazine

1-(2,5-difluorophenyl)-3-ethylpiperazine (PubChem CID 64925171) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-ethylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-ethylpiperazine
PubChem CID64925171
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-(2,5-difluorophenyl)-3-ethylpiperazine
SMILESCCC1CN(c2cc(F)ccc2F)CCN1
InChIInChI=1S/C12H16F2N2/c1-2-10-8-16(6-5-15-10)12-7-9(13)3-4-11(12)14/h3-4,7,10,15H,2,5-6,8H2,1H3
InChIKeyJMFKVXPEBFJKTJ-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-ethylpiperazine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-ethylpiperazine (CID 64925171) is 1-(2,5-difluorophenyl)-3-ethylpiperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-ethylpiperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-ethylpiperazine is CCC1CN(c2cc(F)ccc2F)CCN1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-ethylpiperazine?
The InChIKey is JMFKVXPEBFJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-2-10-8-16(6-5-15-10)12-7-9(13)3-4-11(12)14/h3-4,7,10,15H,2,5-6,8H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-ethylpiperazine?
1-(2,5-difluorophenyl)-3-ethylpiperazine has a molecular weight of 226.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-ethylpiperazine is sourced from PubChem (CID 64925171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).