1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol

C8H16FNO2 — CID 69452975

IUPAC1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol
SMILESOCC(F)CN1CCC(O)CC1
InChIInChI=1S/C8H16FNO2/c9-7(6-11)5-10-3-1-8(12)2-4-10/h7-8,11-12H,1-6H2
InChIKeyILDLQWWBMYOYAE-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.23
Rot. Bonds3

About 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol

1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol (PubChem CID 69452975) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol
PubChem CID69452975
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol
SMILESOCC(F)CN1CCC(O)CC1
InChIInChI=1S/C8H16FNO2/c9-7(6-11)5-10-3-1-8(12)2-4-10/h7-8,11-12H,1-6H2
InChIKeyILDLQWWBMYOYAE-UHFFFAOYSA-N
XLogP-0.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol?
The IUPAC name of 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol (CID 69452975) is 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol?
The canonical SMILES for 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol is OCC(F)CN1CCC(O)CC1.
What is the InChIKey of 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol?
The InChIKey is ILDLQWWBMYOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c9-7(6-11)5-10-3-1-8(12)2-4-10/h7-8,11-12H,1-6H2.
What are the key properties of 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol?
1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol has a molecular weight of 177.22 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-hydroxypropyl)piperidin-4-ol is sourced from PubChem (CID 69452975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).