4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol

C11H19N3O2 — CID 114608497

IUPAC4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
SMILESCCn1cc(OCC2(O)CCNCC2)cn1
InChIInChI=1S/C11H19N3O2/c1-2-14-8-10(7-13-14)16-9-11(15)3-5-12-6-4-11/h7-8,12,15H,2-6,9H2,1H3
InChIKeyYSWHBIKQOFDMBU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.40
Rot. Bonds4

About 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol

4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol (PubChem CID 114608497) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
PubChem CID114608497
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
SMILESCCn1cc(OCC2(O)CCNCC2)cn1
InChIInChI=1S/C11H19N3O2/c1-2-14-8-10(7-13-14)16-9-11(15)3-5-12-6-4-11/h7-8,12,15H,2-6,9H2,1H3
InChIKeyYSWHBIKQOFDMBU-UHFFFAOYSA-N
XLogP0.40
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol (CID 114608497) is 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol is CCn1cc(OCC2(O)CCNCC2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol?
The InChIKey is YSWHBIKQOFDMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-14-8-10(7-13-14)16-9-11(15)3-5-12-6-4-11/h7-8,12,15H,2-6,9H2,1H3.
What are the key properties of 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol?
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol has a molecular weight of 225.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol is sourced from PubChem (CID 114608497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).