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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Related Compounds

2-(1-benzylpiperidin-3-yl)oxyethanol
CID 66563831
2-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]oxyethanol
CID 95632037
1-(1H-pyrazol-5-ylmethyl)azetidin-3-ol
CID 82416866
(4-chlorophenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45180520
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 126466148
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
6-chloro-2-[[(3S)-3-(2-hydroxyethoxy)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136817537
[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45237526
ethane;4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidine;molecular hydrogen
CID 144702602
(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
CID 42194213
(3-propan-2-yloxyphenyl)-[1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]methanone
CID 45172268

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).