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

C10H16F3NO2 — CID 112537598

IUPAC2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyOSISCKWNCWNLFO-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds2

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

2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (PubChem CID 112537598) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
PubChem CID112537598
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
SMILESCCC(O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3
InChIKeyOSISCKWNCWNLFO-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone 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 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone (CID 112537598) is 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is CCC(O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
The InChIKey is OSISCKWNCWNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-8(15)7-3-5-14(6-4-7)9(16)10(11,12)13/h7-8,15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone has a molecular weight of 239.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 112537598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).