1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol

C8H15F3N2O2 — CID 118166134

IUPAC1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol
SMILESCC(O)C(OC(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H15F3N2O2/c1-6(14)7(15-8(9,10)11)13-4-2-12-3-5-13/h6-7,12,14H,2-5H2,1H3
InChIKeyFXSSYMOTFHZMRR-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.13
Rot. Bonds3

About 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol

1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol (PubChem CID 118166134) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol
PubChem CID118166134
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol
SMILESCC(O)C(OC(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H15F3N2O2/c1-6(14)7(15-8(9,10)11)13-4-2-12-3-5-13/h6-7,12,14H,2-5H2,1H3
InChIKeyFXSSYMOTFHZMRR-UHFFFAOYSA-N
XLogP0.13
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol 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-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol?
The IUPAC name of 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol (CID 118166134) is 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol is CC(O)C(OC(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol?
The InChIKey is FXSSYMOTFHZMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-6(14)7(15-8(9,10)11)13-4-2-12-3-5-13/h6-7,12,14H,2-5H2,1H3.
What are the key properties of 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol?
1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol has a molecular weight of 228.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-1-(trifluoromethoxy)propan-2-ol is sourced from PubChem (CID 118166134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).