2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide

C10H17F3N2O2 — CID 63900825

IUPAC2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8(16)6-15-3-1-7(2-4-15)5-9(14)17/h7-8,16H,1-6H2,(H2,14,17)
InChIKeyVTYDCNXULVXZCB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.50
Rot. Bonds4

About 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide

2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide (PubChem CID 63900825) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide
PubChem CID63900825
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8(16)6-15-3-1-7(2-4-15)5-9(14)17/h7-8,16H,1-6H2,(H2,14,17)
InChIKeyVTYDCNXULVXZCB-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide 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 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide (CID 63900825) is 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide?
The InChIKey is VTYDCNXULVXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)8(16)6-15-3-1-7(2-4-15)5-9(14)17/h7-8,16H,1-6H2,(H2,14,17).
What are the key properties of 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide?
2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 63900825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).