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

C11H19N3O — CID 126846290

IUPAC4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol
SMILESCCc1cnn(CC2(O)CCNCC2)c1
InChIInChI=1S/C11H19N3O/c1-2-10-7-13-14(8-10)9-11(15)3-5-12-6-4-11/h7-8,12,15H,2-6,9H2,1H3
InChIKeyJSFLGUWGANPGRQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.56
Rot. Bonds3

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

4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol (PubChem CID 126846290) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol
PubChem CID126846290
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol
SMILESCCc1cnn(CC2(O)CCNCC2)c1
InChIInChI=1S/C11H19N3O/c1-2-10-7-13-14(8-10)9-11(15)3-5-12-6-4-11/h7-8,12,15H,2-6,9H2,1H3
InChIKeyJSFLGUWGANPGRQ-UHFFFAOYSA-N
XLogP0.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol (CID 126846290) is 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol is CCc1cnn(CC2(O)CCNCC2)c1.
What is the InChIKey of 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol?
The InChIKey is JSFLGUWGANPGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-10-7-13-14(8-10)9-11(15)3-5-12-6-4-11/h7-8,12,15H,2-6,9H2,1H3.
What are the key properties of 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol?
4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol has a molecular weight of 209.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpyrazol-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 126846290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).