3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride

C8H14ClN3O — CID 155673840

IUPAC3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride
SMILESCl.OC1CCNCC1c1cn[nH]c1
InChIInChI=1S/C8H13N3O.ClH/c12-8-1-2-9-5-7(8)6-3-10-11-4-6;/h3-4,7-9,12H,1-2,5H2,(H,10,11);1H
InChIKeyWSMQTQHRGPOQTI-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.27
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride

3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride (PubChem CID 155673840) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride
PubChem CID155673840
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride
SMILESCl.OC1CCNCC1c1cn[nH]c1
InChIInChI=1S/C8H13N3O.ClH/c12-8-1-2-9-5-7(8)6-3-10-11-4-6;/h3-4,7-9,12H,1-2,5H2,(H,10,11);1H
InChIKeyWSMQTQHRGPOQTI-UHFFFAOYSA-N
XLogP0.27
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride?
The IUPAC name of 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride (CID 155673840) is 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride is Cl.OC1CCNCC1c1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride?
The InChIKey is WSMQTQHRGPOQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c12-8-1-2-9-5-7(8)6-3-10-11-4-6;/h3-4,7-9,12H,1-2,5H2,(H,10,11);1H.
What are the key properties of 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride?
3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 155673840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).