N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

• ChemBase ID: 271344
• Molecular Formular: C10H18N4O
• Molecular Mass: 210.27612
• Monoisotopic Mass: 210.14806122
• SMILES: n1c(noc1C)CN1CC(NC)CCC1
• Canonical SMILES: CNC1CCCN(C1)Cc1noc(n1)C
• InChI: InChI=1S/C10H18N4O/c1-8-12-10(13-15-8)7-14-5-3-4-9(6-14)11-2/h9,11H,3-7H2,1-2H3
• InChIKey: QHTYJTDKBGHPHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
• IUPAC Traditional name: N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
• Synonyms: N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine

Database IDs

• MDL Number: MFCD16788970
• PubChem SID: 164327254
• PubChem CID: 54592600

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9187438
• LogD (pH = 7.4): -2.1921816
• Log P: 0.43269876
• Molar Refractivity: 59.1038 cm^3
• Polarizability: 22.424091 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.101

Product Information

• Purity: 95%