(2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate

C8H14FNO4 — CID 141118862

IUPAC(2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate
SMILESCC(O)C(=O)OC1(F)CCCCN1O
InChIInChI=1S/C8H14FNO4/c1-6(11)7(12)14-8(9)4-2-3-5-10(8)13/h6,11,13H,2-5H2,1H3
InChIKeyIWOQHMDPKMYIGY-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.41
Rot. Bonds2

About (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate

(2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate (PubChem CID 141118862) has the molecular formula C8H14FNO4 and a molecular weight of 207.20 g/mol. Its IUPAC name is (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate.

Molecular Properties

Compound Name(2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate
PubChem CID141118862
Molecular FormulaC8H14FNO4
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC Name(2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate
SMILESCC(O)C(=O)OC1(F)CCCCN1O
InChIInChI=1S/C8H14FNO4/c1-6(11)7(12)14-8(9)4-2-3-5-10(8)13/h6,11,13H,2-5H2,1H3
InChIKeyIWOQHMDPKMYIGY-UHFFFAOYSA-N
XLogP0.41
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1,2,2-trimethylcyclohexyl) 2-hydroxypropanoate
CID 141174790
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
tert-butyl 3,3-difluoroazepane-1-carboxylate
CID 67979523
methyl 2-amino-2-(1-fluorocyclohexyl)acetate
CID 13204388
1,2-dihydroxypiperidine-2-carboxylic acid
CID 68700231
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
CID 12728534
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
ethane;pyrrolidine-1-carboxamide
CID 144643607

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate?
The IUPAC name of (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate (CID 141118862) is (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate.
What is the SMILES notation for (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate?
The canonical SMILES for (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate is CC(O)C(=O)OC1(F)CCCCN1O.
What is the InChIKey of (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate?
The InChIKey is IWOQHMDPKMYIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO4/c1-6(11)7(12)14-8(9)4-2-3-5-10(8)13/h6,11,13H,2-5H2,1H3.
What are the key properties of (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate?
(2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate has a molecular weight of 207.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-hydroxypiperidin-2-yl) 2-hydroxypropanoate is sourced from PubChem (CID 141118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).