(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one

C9H15F2NO3 — CID 121246748

IUPAC(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCOC1CCN(C(=O)[C@@H](C)O)CC1(F)F
InChIInChI=1S/C9H15F2NO3/c1-6(13)8(14)12-4-3-7(15-2)9(10,11)5-12/h6-7,13H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyXRDWVYVHDJZLKH-ULUSZKPHSA-N
MW223.22 g/mol
LogP0.25
Rot. Bonds2

About (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one

(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 121246748) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
PubChem CID121246748
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCOC1CCN(C(=O)[C@@H](C)O)CC1(F)F
InChIInChI=1S/C9H15F2NO3/c1-6(13)8(14)12-4-3-7(15-2)9(10,11)5-12/h6-7,13H,3-5H2,1-2H3/t6-,7?/m1/s1
InChIKeyXRDWVYVHDJZLKH-ULUSZKPHSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Hydroxy-2-methyl-3,3,3-trifluoropropionyl)piperidine
CID 10751652
1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2-Hydroxy-1-(piperidin-1-yl)propan-1-one
CID 249284
(2S)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 15681250
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
2,2,2-Trifluoro-1-(4-methoxypiperidin-1-yl)ethanone
CID 58896716
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267303
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 68307518
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 68378070
(2R)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one (CID 121246748) is (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one is COC1CCN(C(=O)[C@@H](C)O)CC1(F)F.
What is the InChIKey of (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is XRDWVYVHDJZLKH-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-6(13)8(14)12-4-3-7(15-2)9(10,11)5-12/h6-7,13H,3-5H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one?
(2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 223.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,3-difluoro-4-methoxypiperidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 121246748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).