2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine

C13H25F3N2 — CID 115518778

IUPAC2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CNC(C)CN1CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-4-10(2)12-8-17-11(3)9-18(12)7-5-6-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyRVUPCLTUIHATJI-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds5

About 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine

2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115518778) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115518778
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CNC(C)CN1CCCC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-4-10(2)12-8-17-11(3)9-18(12)7-5-6-13(14,15)16/h10-12,17H,4-9H2,1-3H3
InChIKeyRVUPCLTUIHATJI-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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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine (CID 115518778) is 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine is CCC(C)C1CNC(C)CN1CCCC(F)(F)F.
What is the InChIKey of 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is RVUPCLTUIHATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-10(2)12-8-17-11(3)9-18(12)7-5-6-13(14,15)16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine?
2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)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-methyl-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115518778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).