5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride

C11H19ClN2O — CID 13687

IUPAC5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride
SMILESCc1cc(CC[NH+]2CCCCC2)no1.[Cl-]
InChIInChI=1S/C11H18N2O.ClH/c1-10-9-11(12-14-10)5-8-13-6-3-2-4-7-13;/h9H,2-8H2,1H3;1H
InChIKeyUGJGHXYILFBNOH-UHFFFAOYSA-N
MW230.74 g/mol
LogP-2.40
Rot. Bonds3

About 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride

5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride (PubChem CID 13687) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride.

Molecular Properties

Compound Name5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride
PubChem CID13687
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride
SMILESCc1cc(CC[NH+]2CCCCC2)no1.[Cl-]
InChIInChI=1S/C11H18N2O.ClH/c1-10-9-11(12-14-10)5-8-13-6-3-2-4-7-13;/h9H,2-8H2,1H3;1H
InChIKeyUGJGHXYILFBNOH-UHFFFAOYSA-N
XLogP-2.40
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 5-2.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride?
The IUPAC name of 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride (CID 13687) is 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride.
What is the SMILES notation for 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride?
The canonical SMILES for 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride is Cc1cc(CC[NH+]2CCCCC2)no1.[Cl-].
What is the InChIKey of 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride?
The InChIKey is UGJGHXYILFBNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-10-9-11(12-14-10)5-8-13-6-3-2-4-7-13;/h9H,2-8H2,1H3;1H.
What are the key properties of 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride?
5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride has a molecular weight of 230.74 g/mol, XLogP of -2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole chloride is sourced from PubChem (CID 13687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).