1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol

C10H18F3NO2 — CID 104709041

IUPAC1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCC(O)C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2/c1-7(15)8-2-4-14(5-3-8)6-9(16)10(11,12)13/h7-9,15-16H,2-6H2,1H3
InChIKeyOMWWTMGSPOIPEI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.00
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 104709041) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID104709041
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCC(O)C1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO2/c1-7(15)8-2-4-14(5-3-8)6-9(16)10(11,12)13/h7-9,15-16H,2-6H2,1H3
InChIKeyOMWWTMGSPOIPEI-UHFFFAOYSA-N
XLogP1.00
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-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 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 104709041) is 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol is CC(O)C1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is OMWWTMGSPOIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(15)8-2-4-14(5-3-8)6-9(16)10(11,12)13/h7-9,15-16H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 104709041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).