(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one

C8H13F2NO3 — CID 129270616

IUPAC(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C8H13F2NO3/c1-5(12)7(14)11-3-2-6(13)8(9,10)4-11/h5-6,12-13H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyHUWIBUIIQJZAJP-WDSKDSINSA-N
MW209.19 g/mol
LogP-0.40
Rot. Bonds1

About (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one

(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 129270616) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID129270616
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CC[C@H](O)C(F)(F)C1
InChIInChI=1S/C8H13F2NO3/c1-5(12)7(14)11-3-2-6(13)8(9,10)4-11/h5-6,12-13H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyHUWIBUIIQJZAJP-WDSKDSINSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246905
1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane
CID 145052480
3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
CID 130735483
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
(2S)-2-hydroxy-1-(4-hydroxy-3-methyl-3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 126657322
(2S)-1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2,3-dihydroxypropan-1-one
CID 129256181
3,3-difluoro-1-hydroxypiperidin-4-ol
CID 134533922
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one (CID 129270616) is (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CC[C@H](O)C(F)(F)C1.
What is the InChIKey of (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is HUWIBUIIQJZAJP-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-5(12)7(14)11-3-2-6(13)8(9,10)4-11/h5-6,12-13H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one?
(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 209.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 129270616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).