1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine

C10H17F3N2 — CID 90245436

IUPAC1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13/h1,3-8H2,2H3
InChIKeyOXHFBKJEYCLVDK-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.74
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 90245436) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID90245436
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=C(C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13/h1,3-8H2,2H3
InChIKeyOXHFBKJEYCLVDK-UHFFFAOYSA-N
XLogP1.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 90245436) is 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine is C=C(C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is OXHFBKJEYCLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-9(2)7-14-3-5-15(6-4-14)8-10(11,12)13/h1,3-8H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 222.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 90245436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).