5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine

C10H19F3N2 — CID 84689190

IUPAC5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CC(C)(C)NCC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-7(2)15-6-9(3,4)14-5-8(15)10(11,12)13/h7-8,14H,5-6H2,1-4H3
InChIKeyPJOWCARHJHGZEJ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds1

About 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine

5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine (PubChem CID 84689190) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
PubChem CID84689190
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CC(C)(C)NCC1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-7(2)15-6-9(3,4)14-5-8(15)10(11,12)13/h7-8,14H,5-6H2,1-4H3
InChIKeyPJOWCARHJHGZEJ-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The IUPAC name of 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine (CID 84689190) is 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine is CC(C)N1CC(C)(C)NCC1C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
The InChIKey is PJOWCARHJHGZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-7(2)15-6-9(3,4)14-5-8(15)10(11,12)13/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine?
5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 84689190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).