2,5-difluoro-1-(2-methylpropyl)piperazine

C8H16F2N2 — CID 130434398

IUPAC2,5-difluoro-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(F)NCC1F
InChIInChI=1S/C8H16F2N2/c1-6(2)4-12-5-7(9)11-3-8(12)10/h6-8,11H,3-5H2,1-2H3
InChIKeySDJBLJMAYOIJFV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.14
Rot. Bonds2

About 2,5-difluoro-1-(2-methylpropyl)piperazine

2,5-difluoro-1-(2-methylpropyl)piperazine (PubChem CID 130434398) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,5-difluoro-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2,5-difluoro-1-(2-methylpropyl)piperazine
PubChem CID130434398
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2,5-difluoro-1-(2-methylpropyl)piperazine
SMILESCC(C)CN1CC(F)NCC1F
InChIInChI=1S/C8H16F2N2/c1-6(2)4-12-5-7(9)11-3-8(12)10/h6-8,11H,3-5H2,1-2H3
InChIKeySDJBLJMAYOIJFV-UHFFFAOYSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.2]octane
CID 129193409
2-tert-butyl-5-methyl-1-(2-methylpropyl)piperazine
CID 64844981
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
1,2-bis(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838842
2-butan-2-yl-1,5-bis(2-methylpropyl)piperazine
CID 64847195
5-ethyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64842892
4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane
CID 166643898
1,2-bis(2-methylpropyl)imidazolidine
CID 174728952
2-methyl-1-(2-methylpropyl)piperazine
CID 53405905
(2S)-4-fluoro-2-methyl-1-(2-methylpropyl)piperidine
CID 171752860
2-tert-butyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64839180
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-1-(2-methylpropyl)piperazine?
The IUPAC name of 2,5-difluoro-1-(2-methylpropyl)piperazine (CID 130434398) is 2,5-difluoro-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 2,5-difluoro-1-(2-methylpropyl)piperazine?
The canonical SMILES for 2,5-difluoro-1-(2-methylpropyl)piperazine is CC(C)CN1CC(F)NCC1F.
What is the InChIKey of 2,5-difluoro-1-(2-methylpropyl)piperazine?
The InChIKey is SDJBLJMAYOIJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6(2)4-12-5-7(9)11-3-8(12)10/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 2,5-difluoro-1-(2-methylpropyl)piperazine?
2,5-difluoro-1-(2-methylpropyl)piperazine has a molecular weight of 178.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 130434398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).