1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine

C12H17F3N2 — CID 175756648

IUPAC1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)10-16-6-8-17(9-7-16)11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2
InChIKeyLOURZORLJURRLF-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.40
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine

1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 175756648) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID175756648
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C12H17F3N2/c13-12(14,15)10-16-6-8-17(9-7-16)11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2
InChIKeyLOURZORLJURRLF-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine (CID 175756648) is 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is LOURZORLJURRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c13-12(14,15)10-16-6-8-17(9-7-16)11-4-2-1-3-5-11/h2,4-5H,1,3,6-10H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine?
1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 246.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 175756648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).