1-(2,4-difluorophenyl)-4-hexylpiperazine

C16H24F2N2 — CID 59254947

IUPAC1-(2,4-difluorophenyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H24F2N2/c1-2-3-4-5-8-19-9-11-20(12-10-19)16-7-6-14(17)13-15(16)18/h6-7,13H,2-5,8-12H2,1H3
InChIKeyVAXUHCPEZNSWQW-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.67
Rot. Bonds6

About 1-(2,4-difluorophenyl)-4-hexylpiperazine

1-(2,4-difluorophenyl)-4-hexylpiperazine (PubChem CID 59254947) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-hexylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-hexylpiperazine
PubChem CID59254947
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,4-difluorophenyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H24F2N2/c1-2-3-4-5-8-19-9-11-20(12-10-19)16-7-6-14(17)13-15(16)18/h6-7,13H,2-5,8-12H2,1H3
InChIKeyVAXUHCPEZNSWQW-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-hexylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-hexylpiperazine (CID 59254947) is 1-(2,4-difluorophenyl)-4-hexylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-hexylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-hexylpiperazine is CCCCCCN1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-hexylpiperazine?
The InChIKey is VAXUHCPEZNSWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-3-4-5-8-19-9-11-20(12-10-19)16-7-6-14(17)13-15(16)18/h6-7,13H,2-5,8-12H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-hexylpiperazine?
1-(2,4-difluorophenyl)-4-hexylpiperazine has a molecular weight of 282.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-hexylpiperazine is sourced from PubChem (CID 59254947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).