[1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol

C9H17F3N2O — CID 176871798

IUPAC[1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol
SMILESCC(C)N1C(CO)CNCC1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)14-7(5-15)3-13-4-8(14)9(10,11)12/h6-8,13,15H,3-5H2,1-2H3
InChIKeyALKFAHGAYQLAQA-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.59
Rot. Bonds2

About [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol

[1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol (PubChem CID 176871798) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol
PubChem CID176871798
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol
SMILESCC(C)N1C(CO)CNCC1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)14-7(5-15)3-13-4-8(14)9(10,11)12/h6-8,13,15H,3-5H2,1-2H3
InChIKeyALKFAHGAYQLAQA-UHFFFAOYSA-N
XLogP0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol 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-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol?
The IUPAC name of [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol (CID 176871798) is [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol?
The canonical SMILES for [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol is CC(C)N1C(CO)CNCC1C(F)(F)F.
What is the InChIKey of [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol?
The InChIKey is ALKFAHGAYQLAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)14-7(5-15)3-13-4-8(14)9(10,11)12/h6-8,13,15H,3-5H2,1-2H3.
What are the key properties of [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol?
[1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-6-(trifluoromethyl)piperazin-2-yl]methanol is sourced from PubChem (CID 176871798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).