1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

C17H25F3N2O2 — CID 4600183

IUPAC1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCC(C)OCC(O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H25F3N2O2/c1-13(2)24-12-16(23)11-21-7-9-22(10-8-21)15-5-3-14(4-6-15)17(18,19)20/h3-6,13,16,23H,7-12H2,1-2H3
InChIKeyIURNYPXTXATJDJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.61
Rot. Bonds6

About 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 4600183) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID4600183
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCC(C)OCC(O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H25F3N2O2/c1-13(2)24-12-16(23)11-21-7-9-22(10-8-21)15-5-3-14(4-6-15)17(18,19)20/h3-6,13,16,23H,7-12H2,1-2H3
InChIKeyIURNYPXTXATJDJ-UHFFFAOYSA-N
XLogP2.61
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]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-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (CID 4600183) is 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is CC(C)OCC(O)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is IURNYPXTXATJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-13(2)24-12-16(23)11-21-7-9-22(10-8-21)15-5-3-14(4-6-15)17(18,19)20/h3-6,13,16,23H,7-12H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 346.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 4600183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).