1-tert-butyl-3-(trifluoromethyl)piperazine

C9H17F3N2 — CID 59520000

IUPAC1-tert-butyl-3-(trifluoromethyl)piperazine
SMILESCC(C)(C)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-8(2,3)14-5-4-13-7(6-14)9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyPDEDBLJLOSQGTI-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds

About 1-tert-butyl-3-(trifluoromethyl)piperazine

1-tert-butyl-3-(trifluoromethyl)piperazine (PubChem CID 59520000) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)piperazine
PubChem CID59520000
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-tert-butyl-3-(trifluoromethyl)piperazine
SMILESCC(C)(C)N1CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2/c1-8(2,3)14-5-4-13-7(6-14)9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyPDEDBLJLOSQGTI-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(trifluoromethyl)piperazine?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)piperazine (CID 59520000) is 1-tert-butyl-3-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)piperazine?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)piperazine is CC(C)(C)N1CCNC(C(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)piperazine?
The InChIKey is PDEDBLJLOSQGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(2,3)14-5-4-13-7(6-14)9(10,11)12/h7,13H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)piperazine?
1-tert-butyl-3-(trifluoromethyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)piperazine is sourced from PubChem (CID 59520000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).