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

• ChemBase ID: 62957
• Molecular Formular: C8H14ClN3O
• Molecular Mass: 203.66926
• Monoisotopic Mass: 203.08253976
• SMILES: n1c(noc1C)C1CCNCC1.Cl
• Canonical SMILES: Cc1onc(n1)C1CCNCC1.Cl
• InChI: InChI=1S/C8H13N3O.ClH/c1-6-10-8(11-12-6)7-2-4-9-5-3-7;/h7,9H,2-5H2,1H3;1H
• InChIKey: ZPNGKRXVCMUARH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD15071963
• PubChem SID: 162028696
• PubChem CID: 21098311

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7893748
• LogD (pH = 7.4): -1.8129687
• Log P: 0.5298692
• Molar Refractivity: 46.1708 cm^3
• Polarizability: 17.151129 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.266

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%