2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine

C10H19F3N2 — CID 64846239

IUPAC2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC(C)C1CNCCN1CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-3-8(2)9-6-14-4-5-15(9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyOSLYQPGPLZERMY-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.87
Rot. Bonds3

About 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine

2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64846239) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64846239
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC(C)C1CNCCN1CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-3-8(2)9-6-14-4-5-15(9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyOSLYQPGPLZERMY-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64839560
2-butan-2-ylpiperazine-1-carbaldehyde
CID 91801359
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64845837
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
CID 82924877
2-butan-2-yl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64846833
2-butan-2-yl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64844061
1-ethyl-2-pentan-3-ylpiperazine
CID 82669117
2-butan-2-yl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349534
1-[(5-bromo-2-fluorophenyl)methyl]-2-butan-2-ylpiperazine
CID 64845054
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64844455
2-[2-(1-aminopropyl)piperazin-1-yl]ethanol
CID 174600260

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine (CID 64846239) is 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine is CCC(C)C1CNCCN1CC(F)(F)F.
What is the InChIKey of 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is OSLYQPGPLZERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-3-8(2)9-6-14-4-5-15(9)7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine?
2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 224.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64846239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).