3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol

C14H21FN2O3 — CID 168595759

IUPAC3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1c(F)cccc1N1CCC(O)CC1
InChIInChI=1S/C14H21FN2O3/c15-12-2-1-3-13(14(12)16-8-11(20)9-18)17-6-4-10(19)5-7-17/h1-3,10-11,16,18-20H,4-9H2
InChIKeyPFKNURSATLBQBH-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.55
Rot. Bonds5

About 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol

3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol (PubChem CID 168595759) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol
PubChem CID168595759
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol
SMILESOCC(O)CNc1c(F)cccc1N1CCC(O)CC1
InChIInChI=1S/C14H21FN2O3/c15-12-2-1-3-13(14(12)16-8-11(20)9-18)17-6-4-10(19)5-7-17/h1-3,10-11,16,18-20H,4-9H2
InChIKeyPFKNURSATLBQBH-UHFFFAOYSA-N
XLogP0.55
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[2-(2,3-dihydroxypropylamino)-3-fluorophenyl]pyrrolidin-3-yl]carbamate
CID 168596107
1-[2-[(2,6-difluorophenyl)methylamino]phenyl]piperidin-4-ol
CID 110018792
3-[3-fluoro-4-(4-methylpiperidin-1-yl)anilino]propane-1,2-diol
CID 168597205
2-(2,3-dihydroxypropylamino)-3-fluoro-N-methylbenzamide
CID 168595257
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
CID 168595650
2-[2-fluoro-6-(4-hydroxypiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168518278
3-(2,6-difluoro-4-hydroxyanilino)propane-1,2-diol
CID 168594723
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol (CID 168595759) is 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol is OCC(O)CNc1c(F)cccc1N1CCC(O)CC1.
What is the InChIKey of 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol?
The InChIKey is PFKNURSATLBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c15-12-2-1-3-13(14(12)16-8-11(20)9-18)17-6-4-10(19)5-7-17/h1-3,10-11,16,18-20H,4-9H2.
What are the key properties of 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol?
3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol has a molecular weight of 284.33 g/mol, XLogP of 0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-6-(4-hydroxypiperidin-1-yl)anilino]propane-1,2-diol is sourced from PubChem (CID 168595759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).