5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine

C13H24F4N2 — CID 106294228

IUPAC5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCCC(C)C1CN(CC(F)(F)C(F)F)C(CC)CN1
InChIInChI=1S/C13H24F4N2/c1-4-9(3)11-7-19(10(5-2)6-18-11)8-13(16,17)12(14)15/h9-12,18H,4-8H2,1-3H3
InChIKeySSPLUOBPZMVVMN-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.99
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine

5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine (PubChem CID 106294228) has the molecular formula C13H24F4N2 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
PubChem CID106294228
Molecular FormulaC13H24F4N2
Molecular Weight284.34 g/mol
Exact Mass284.19
IUPAC Name5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
SMILESCCC(C)C1CN(CC(F)(F)C(F)F)C(CC)CN1
InChIInChI=1S/C13H24F4N2/c1-4-9(3)11-7-19(10(5-2)6-18-11)8-13(16,17)12(14)15/h9-12,18H,4-8H2,1-3H3
InChIKeySSPLUOBPZMVVMN-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126
5-butan-2-yl-2-ethyl-1-(3-methylpentan-3-yl)piperazine
CID 114174365
4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64939113
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847451
5-butan-2-yl-2-ethyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64938534
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64847262
5-butan-2-yl-2-ethyl-1-[2-(furan-2-yl)ethyl]piperazine
CID 64937935
5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469740
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine (CID 106294228) is 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine is CCC(C)C1CN(CC(F)(F)C(F)F)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
The InChIKey is SSPLUOBPZMVVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F4N2/c1-4-9(3)11-7-19(10(5-2)6-18-11)8-13(16,17)12(14)15/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine?
5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine has a molecular weight of 284.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine is sourced from PubChem (CID 106294228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).