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

C10H17ClN2O — CID 13673

IUPAC5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
SMILESCc1cc(C[NH+]2CCCCC2)no1.[Cl-]
InChIInChI=1S/C10H16N2O.ClH/c1-9-7-10(11-13-9)8-12-5-3-2-4-6-12;/h7H,2-6,8H2,1H3;1H
InChIKeyGGIPSMNIEMSXNN-UHFFFAOYSA-N
MW216.71 g/mol
LogP-2.44
Rot. Bonds2

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

5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride (PubChem CID 13673) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride.

Molecular Properties

Compound Name5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
PubChem CID13673
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride
SMILESCc1cc(C[NH+]2CCCCC2)no1.[Cl-]
InChIInChI=1S/C10H16N2O.ClH/c1-9-7-10(11-13-9)8-12-5-3-2-4-6-12;/h7H,2-6,8H2,1H3;1H
InChIKeyGGIPSMNIEMSXNN-UHFFFAOYSA-N
XLogP-2.44
TPSA30.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride?
The IUPAC name of 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride (CID 13673) is 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride.
What is the SMILES notation for 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride?
The canonical SMILES for 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride is Cc1cc(C[NH+]2CCCCC2)no1.[Cl-].
What is the InChIKey of 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride?
The InChIKey is GGIPSMNIEMSXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c1-9-7-10(11-13-9)8-12-5-3-2-4-6-12;/h7H,2-6,8H2,1H3;1H.
What are the key properties of 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride?
5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride has a molecular weight of 216.71 g/mol, XLogP of -2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazole chloride is sourced from PubChem (CID 13673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).