1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine

C8H13F3N2 — CID 134530505

IUPAC1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
SMILESCN1CCN(CC1)C(=C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-7(8(9,10)11)13-5-3-12(2)4-6-13/h1,3-6H2,2H3
InChIKeyMGBGJIPEPIIJGJ-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.70
Rot. Bonds1

About 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine

1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine (PubChem CID 134530505) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
PubChem CID134530505
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
SMILESCN1CCN(CC1)C(=C)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-7(8(9,10)11)13-5-3-12(2)4-6-13/h1,3-6H2,2H3
InChIKeyMGBGJIPEPIIJGJ-UHFFFAOYSA-N
XLogP1.70
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity192

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The IUPAC name of 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine (CID 134530505) is 1-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine.
What is the SMILES notation for 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The canonical SMILES for 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine is CN1CCN(CC1)C(=C)C(F)(F)F.
What is the InChIKey of 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The InChIKey is MGBGJIPEPIIJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-7(8(9,10)11)13-5-3-12(2)4-6-13/h1,3-6H2,2H3.
What are the key properties of 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine has a molecular weight of 194.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine is sourced from PubChem (CID 134530505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).