1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine

C10H19F3N2O — CID 144867858

IUPAC1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC(COCC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C10H19F3N2O/c1-9(7-16-8-10(11,12)13)6-15-4-2-14-3-5-15/h9,14H,2-8H2,1H3
InChIKeyZFPYHGHZZKCXFX-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds5

About 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine

1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine (PubChem CID 144867858) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine
PubChem CID144867858
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine
SMILESCC(COCC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C10H19F3N2O/c1-9(7-16-8-10(11,12)13)6-15-4-2-14-3-5-15/h9,14H,2-8H2,1H3
InChIKeyZFPYHGHZZKCXFX-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]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-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The IUPAC name of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine (CID 144867858) is 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The canonical SMILES for 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine is CC(COCC(F)(F)F)CN1CCNCC1.
What is the InChIKey of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine?
The InChIKey is ZFPYHGHZZKCXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(7-16-8-10(11,12)13)6-15-4-2-14-3-5-15/h9,14H,2-8H2,1H3.
What are the key properties of 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine?
1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine has a molecular weight of 240.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2,2,2-trifluoroethoxy)propyl]piperazine is sourced from PubChem (CID 144867858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).