1-(2,4-difluorophenyl)-3-propylpiperazine

C13H18F2N2 — CID 64925789

IUPAC1-(2,4-difluorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(F)cc2F)CCN1
InChIInChI=1S/C13H18F2N2/c1-2-3-11-9-17(7-6-16-11)13-5-4-10(14)8-12(13)15/h4-5,8,11,16H,2-3,6-7,9H2,1H3
InChIKeyMDURXVLYFLRTQI-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-propylpiperazine

1-(2,4-difluorophenyl)-3-propylpiperazine (PubChem CID 64925789) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-propylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-propylpiperazine
PubChem CID64925789
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(2,4-difluorophenyl)-3-propylpiperazine
SMILESCCCC1CN(c2ccc(F)cc2F)CCN1
InChIInChI=1S/C13H18F2N2/c1-2-3-11-9-17(7-6-16-11)13-5-4-10(14)8-12(13)15/h4-5,8,11,16H,2-3,6-7,9H2,1H3
InChIKeyMDURXVLYFLRTQI-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-propylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-propylpiperazine (CID 64925789) is 1-(2,4-difluorophenyl)-3-propylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-propylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-propylpiperazine is CCCC1CN(c2ccc(F)cc2F)CCN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-propylpiperazine?
The InChIKey is MDURXVLYFLRTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-2-3-11-9-17(7-6-16-11)13-5-4-10(14)8-12(13)15/h4-5,8,11,16H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-propylpiperazine?
1-(2,4-difluorophenyl)-3-propylpiperazine has a molecular weight of 240.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-propylpiperazine is sourced from PubChem (CID 64925789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).