1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C9H14F3NO2 — CID 122533809

IUPAC1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-2-7(14)13-5-3-4-8(15,6-13)9(10,11)12/h15H,2-6H2,1H3
InChIKeyRLYDWUMHLVGDNC-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.31
Rot. Bonds1

About 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one

1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 122533809) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID122533809
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-2-7(14)13-5-3-4-8(15,6-13)9(10,11)12/h15H,2-6H2,1H3
InChIKeyRLYDWUMHLVGDNC-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Hydroxy-2-methyl-3,3,3-trifluoropropionyl)piperidine
CID 10751652
Tert-butyl 3-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate
CID 50986438
3-Ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 71981892
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
1-(4-Ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 59083778
2,2,2-Trifluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707610
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 118218351
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-[4-(Difluoromethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 118929016
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]ethanone
CID 126716024
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 126716199
1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750059

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 122533809) is 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is RLYDWUMHLVGDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-7(14)13-5-3-4-8(15,6-13)9(10,11)12/h15H,2-6H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 225.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 122533809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).