4-(1-hydroxypyrazol-4-yl)piperidine

C8H13N3O — CID 46203882

IUPAC4-(1-hydroxypyrazol-4-yl)piperidine
SMILESOn1cc(C2CCNCC2)cn1
InChIInChI=1S/C8H13N3O/c12-11-6-8(5-10-11)7-1-3-9-4-2-7/h5-7,9,12H,1-4H2
InChIKeyPQXIEYFAOWEBMH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds1

About 4-(1-hydroxypyrazol-4-yl)piperidine

4-(1-hydroxypyrazol-4-yl)piperidine (PubChem CID 46203882) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(1-hydroxypyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(1-hydroxypyrazol-4-yl)piperidine
PubChem CID46203882
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(1-hydroxypyrazol-4-yl)piperidine
SMILESOn1cc(C2CCNCC2)cn1
InChIInChI=1S/C8H13N3O/c12-11-6-8(5-10-11)7-1-3-9-4-2-7/h5-7,9,12H,1-4H2
InChIKeyPQXIEYFAOWEBMH-UHFFFAOYSA-N
XLogP0.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypyrazol-4-yl)piperidine?
The IUPAC name of 4-(1-hydroxypyrazol-4-yl)piperidine (CID 46203882) is 4-(1-hydroxypyrazol-4-yl)piperidine.
What is the SMILES notation for 4-(1-hydroxypyrazol-4-yl)piperidine?
The canonical SMILES for 4-(1-hydroxypyrazol-4-yl)piperidine is On1cc(C2CCNCC2)cn1.
What is the InChIKey of 4-(1-hydroxypyrazol-4-yl)piperidine?
The InChIKey is PQXIEYFAOWEBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-11-6-8(5-10-11)7-1-3-9-4-2-7/h5-7,9,12H,1-4H2.
What are the key properties of 4-(1-hydroxypyrazol-4-yl)piperidine?
4-(1-hydroxypyrazol-4-yl)piperidine has a molecular weight of 167.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypyrazol-4-yl)piperidine is sourced from PubChem (CID 46203882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).