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

• ChemBase ID: 271346
• Molecular Formular: C11H18N4O
• Molecular Mass: 222.28682
• Monoisotopic Mass: 222.14806122
• SMILES: n1c(onc1CN1CC(N)CCC1)C1CC1
• Canonical SMILES: NC1CCCN(C1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C11H18N4O/c12-9-2-1-5-15(6-9)7-10-13-11(16-14-10)8-3-4-8/h8-9H,1-7,12H2
• InChIKey: WAUSDXHLLVFCMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14679545
• PubChem SID: 164327256
• PubChem CID: 54592602

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4169974
• LogD (pH = 7.4): -1.4321648
• Log P: 0.755995
• Molar Refractivity: 61.7284 cm^3
• Polarizability: 23.53895 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.057

Product Information

• Purity: 95%