(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one

C9H16FNO2 — CID 131134500

IUPAC(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)O)CC1F
InChIInChI=1S/C9H16FNO2/c1-6-3-4-11(5-8(6)10)9(13)7(2)12/h6-8,12H,3-5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyGXGPGFMXCUMLOR-ZUEIMRROSA-N
MW189.23 g/mol
LogP0.57
Rot. Bonds1

About (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one

(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 131134500) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one
PubChem CID131134500
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCC1CCN(C(=O)[C@@H](C)O)CC1F
InChIInChI=1S/C9H16FNO2/c1-6-3-4-11(5-8(6)10)9(13)7(2)12/h6-8,12H,3-5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyGXGPGFMXCUMLOR-ZUEIMRROSA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10539749
2-Hydroxy-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 16769354
(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10825720
2-Hydroxy-1-(piperidin-1-yl)propan-1-one
CID 249284
(2S)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 15681250
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
(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)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
(2R)-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-2-hydroxypropan-1-one
CID 89796450
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one (CID 131134500) is (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one is CC1CCN(C(=O)[C@@H](C)O)CC1F.
What is the InChIKey of (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is GXGPGFMXCUMLOR-ZUEIMRROSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6-3-4-11(5-8(6)10)9(13)7(2)12/h6-8,12H,3-5H2,1-2H3/t6?,7-,8?/m1/s1.
What are the key properties of (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one?
(2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluoro-4-methylpiperidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 131134500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).