4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol

C8H12FN3O — CID 126655513

IUPAC4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
SMILESOC1CN(c2ccn[nH]2)CCC1F
InChIInChI=1S/C8H12FN3O/c9-6-2-4-12(5-7(6)13)8-1-3-10-11-8/h1,3,6-7,13H,2,4-5H2,(H,10,11)
InChIKeyUJDNCXQSNPCEIB-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.32
Rot. Bonds1

About 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol

4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol (PubChem CID 126655513) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
PubChem CID126655513
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
SMILESOC1CN(c2ccn[nH]2)CCC1F
InChIInChI=1S/C8H12FN3O/c9-6-2-4-12(5-7(6)13)8-1-3-10-11-8/h1,3,6-7,13H,2,4-5H2,(H,10,11)
InChIKeyUJDNCXQSNPCEIB-UHFFFAOYSA-N
XLogP0.32
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The IUPAC name of 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol (CID 126655513) is 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The canonical SMILES for 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol is OC1CN(c2ccn[nH]2)CCC1F.
What is the InChIKey of 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?
The InChIKey is UJDNCXQSNPCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c9-6-2-4-12(5-7(6)13)8-1-3-10-11-8/h1,3,6-7,13H,2,4-5H2,(H,10,11).
What are the key properties of 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol?
4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol has a molecular weight of 185.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 126655513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).