4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride

• ChemBase ID: 62859
• Molecular Formular: C9H16ClN3O
• Molecular Mass: 217.69584
• Monoisotopic Mass: 217.09818983
• SMILES: n1c(onc1C)C1(CCNCC1)C.Cl
• Canonical SMILES: CC1(CCNCC1)c1onc(n1)C.Cl
• InChI: InChI=1S/C9H15N3O.ClH/c1-7-11-8(13-12-7)9(2)3-5-10-6-4-9;/h10H,3-6H2,1-2H3;1H
• InChIKey: YCFLQSSSDRIGDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
• IUPAC Traditional name: 4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
• Synonyms: 4-Methyl-4-(3-methyl-[1,2,4]oxadiazol-5-yl)-piperidine hydrochloride; 4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD21606127
• PubChem SID: 162028598
• PubChem CID: 71298861

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1932795
• LogD (pH = 7.4): -1.1741531
• Log P: 1.1197834
• Molar Refractivity: 50.6718 cm^3
• Polarizability: 18.983698 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.253

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%