2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine

C13H25F3N2 — CID 64839560

IUPAC2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCCC1CN(CC(F)(F)F)C(C(C)CC)CN1
InChIInChI=1S/C13H25F3N2/c1-4-6-11-8-18(9-13(14,15)16)12(7-17-11)10(3)5-2/h10-12,17H,4-9H2,1-3H3
InChIKeyICBGDFLWGOQOJU-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds5

About 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine

2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64839560) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64839560
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCCC1CN(CC(F)(F)F)C(C(C)CC)CN1
InChIInChI=1S/C13H25F3N2/c1-4-6-11-8-18(9-13(14,15)16)12(7-17-11)10(3)5-2/h10-12,17H,4-9H2,1-3H3
InChIKeyICBGDFLWGOQOJU-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
2-butan-2-yl-1-[2-(oxolan-2-yl)ethyl]-5-propylpiperazine
CID 65170424
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64846239
2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
2-butan-2-yl-5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64843484
2-butan-2-yl-5-(2-methylpropyl)-1-propylpiperazine
CID 64847775

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64839560) is 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine is CCCC1CN(CC(F)(F)F)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is ICBGDFLWGOQOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-6-11-8-18(9-13(14,15)16)12(7-17-11)10(3)5-2/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine?
2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-propyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64839560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).