(4-piperidin-4-ylpyrazol-1-yl) acetate

C10H15N3O2 — CID 57254821

IUPAC(4-piperidin-4-ylpyrazol-1-yl) acetate
SMILESCC(=O)On1cc(C2CCNCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-8(14)15-13-7-10(6-12-13)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3
InChIKeyXNEXBNTUZUDCEK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.33
Rot. Bonds2

About (4-piperidin-4-ylpyrazol-1-yl) acetate

(4-piperidin-4-ylpyrazol-1-yl) acetate (PubChem CID 57254821) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (4-piperidin-4-ylpyrazol-1-yl) acetate.

Molecular Properties

Compound Name(4-piperidin-4-ylpyrazol-1-yl) acetate
PubChem CID57254821
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(4-piperidin-4-ylpyrazol-1-yl) acetate
SMILESCC(=O)On1cc(C2CCNCC2)cn1
InChIInChI=1S/C10H15N3O2/c1-8(14)15-13-7-10(6-12-13)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3
InChIKeyXNEXBNTUZUDCEK-UHFFFAOYSA-N
XLogP0.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Hydroxypyrazol-4-yl)piperidine
CID 46203882
4-(1-Hydroxypyrazol-4-yl)piperidine;hydrochloride
CID 49861352
[4-(1,2,3,6-Tetrahydropyridin-4-yl)pyrazol-1-yl] acetate
CID 70257962
(4-Cyclopropylpyrazol-1-yl) acetate
CID 88995659
[4-(1H-pyrazol-4-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174736090
[4-(1H-pyrazol-4-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174974835

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-4-ylpyrazol-1-yl) acetate?
The IUPAC name of (4-piperidin-4-ylpyrazol-1-yl) acetate (CID 57254821) is (4-piperidin-4-ylpyrazol-1-yl) acetate.
What is the SMILES notation for (4-piperidin-4-ylpyrazol-1-yl) acetate?
The canonical SMILES for (4-piperidin-4-ylpyrazol-1-yl) acetate is CC(=O)On1cc(C2CCNCC2)cn1.
What is the InChIKey of (4-piperidin-4-ylpyrazol-1-yl) acetate?
The InChIKey is XNEXBNTUZUDCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)15-13-7-10(6-12-13)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3.
What are the key properties of (4-piperidin-4-ylpyrazol-1-yl) acetate?
(4-piperidin-4-ylpyrazol-1-yl) acetate has a molecular weight of 209.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-4-ylpyrazol-1-yl) acetate is sourced from PubChem (CID 57254821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).