5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline

C15H20F3N3 — CID 81218405

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)CN1CCN(c2cccc3c2CCNC3)CC1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)11-20-6-8-21(9-7-20)14-3-1-2-12-10-19-5-4-13(12)14/h1-3,19H,4-11H2
InChIKeyHGXDLRKORFLZIW-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.02
Rot. Bonds2

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81218405) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID81218405
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESFC(F)(F)CN1CCN(c2cccc3c2CCNC3)CC1
InChIInChI=1S/C15H20F3N3/c16-15(17,18)11-20-6-8-21(9-7-20)14-3-1-2-12-10-19-5-4-13(12)14/h1-3,19H,4-11H2
InChIKeyHGXDLRKORFLZIW-UHFFFAOYSA-N
XLogP2.02
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline 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 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline (CID 81218405) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline is FC(F)(F)CN1CCN(c2cccc3c2CCNC3)CC1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HGXDLRKORFLZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c16-15(17,18)11-20-6-8-21(9-7-20)14-3-1-2-12-10-19-5-4-13(12)14/h1-3,19H,4-11H2.
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 299.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81218405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).