2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol

C11H19N3O2 — CID 115882853

IUPAC2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C11H19N3O2/c15-6-7-16-11-2-1-5-14(9-11)8-10-3-4-12-13-10/h3-4,11,15H,1-2,5-9H2,(H,12,13)
InChIKeyVAXOZTYOWXFUMS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.38
Rot. Bonds5

About 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol

2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol (PubChem CID 115882853) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol
PubChem CID115882853
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(Cc2ccn[nH]2)C1
InChIInChI=1S/C11H19N3O2/c15-6-7-16-11-2-1-5-14(9-11)8-10-3-4-12-13-10/h3-4,11,15H,1-2,5-9H2,(H,12,13)
InChIKeyVAXOZTYOWXFUMS-UHFFFAOYSA-N
XLogP0.38
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol (CID 115882853) is 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol is OCCOC1CCCN(Cc2ccn[nH]2)C1.
What is the InChIKey of 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol?
The InChIKey is VAXOZTYOWXFUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-6-7-16-11-2-1-5-14(9-11)8-10-3-4-12-13-10/h3-4,11,15H,1-2,5-9H2,(H,12,13).
What are the key properties of 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol?
2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol has a molecular weight of 225.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 115882853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).