5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol

C8H15F2NO2 — CID 131176139

IUPAC5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol
SMILESCC(O)CN1CC(O)CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2/c1-6(12)3-11-4-7(13)2-8(9,10)5-11/h6-7,12-13H,2-5H2,1H3
InChIKeyXGPBXVAEOAUZRP-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.07
Rot. Bonds2

About 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol

5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol (PubChem CID 131176139) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol.

Molecular Properties

Compound Name5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol
PubChem CID131176139
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol
SMILESCC(O)CN1CC(O)CC(F)(F)C1
InChIInChI=1S/C8H15F2NO2/c1-6(12)3-11-4-7(13)2-8(9,10)5-11/h6-7,12-13H,2-5H2,1H3
InChIKeyXGPBXVAEOAUZRP-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol?
The IUPAC name of 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol (CID 131176139) is 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol.
What is the SMILES notation for 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol?
The canonical SMILES for 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol is CC(O)CN1CC(O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol?
The InChIKey is XGPBXVAEOAUZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6(12)3-11-4-7(13)2-8(9,10)5-11/h6-7,12-13H,2-5H2,1H3.
What are the key properties of 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol?
5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol has a molecular weight of 195.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(2-hydroxypropyl)piperidin-3-ol is sourced from PubChem (CID 131176139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).