3-piperidin-4-yl-1,2-oxazole;hydrochloride

C8H13ClN2O — CID 122164276

IUPAC3-piperidin-4-yl-1,2-oxazole;hydrochloride
SMILESCl.c1cc(C2CCNCC2)no1
InChIInChI=1S/C8H12N2O.ClH/c1-4-9-5-2-7(1)8-3-6-11-10-8;/h3,6-7,9H,1-2,4-5H2;1H
InChIKeyKPJURRVCPKLXDQ-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.56
Rot. Bonds1

About 3-piperidin-4-yl-1,2-oxazole;hydrochloride

3-piperidin-4-yl-1,2-oxazole;hydrochloride (PubChem CID 122164276) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1,2-oxazole;hydrochloride
PubChem CID122164276
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name3-piperidin-4-yl-1,2-oxazole;hydrochloride
SMILESCl.c1cc(C2CCNCC2)no1
InChIInChI=1S/C8H12N2O.ClH/c1-4-9-5-2-7(1)8-3-6-11-10-8;/h3,6-7,9H,1-2,4-5H2;1H
InChIKeyKPJURRVCPKLXDQ-UHFFFAOYSA-N
XLogP1.56
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,2-oxazole;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1,2-oxazole;hydrochloride (CID 122164276) is 3-piperidin-4-yl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1,2-oxazole;hydrochloride is Cl.c1cc(C2CCNCC2)no1.
What is the InChIKey of 3-piperidin-4-yl-1,2-oxazole;hydrochloride?
The InChIKey is KPJURRVCPKLXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.ClH/c1-4-9-5-2-7(1)8-3-6-11-10-8;/h3,6-7,9H,1-2,4-5H2;1H.
What are the key properties of 3-piperidin-4-yl-1,2-oxazole;hydrochloride?
3-piperidin-4-yl-1,2-oxazole;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 122164276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).