(1-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}piperidin-2-yl)methanol

• ChemBase ID: 546230
• Molecular Formular: C12H22N4O2
• Molecular Mass: 254.32868
• Monoisotopic Mass: 254.17427596
• SMILES: o1c(nnc1CC)NCCN1C(CO)CCCC1
• Canonical SMILES: OCC1CCCCN1CCNc1nnc(o1)CC
• InChI: InChI=1S/C12H22N4O2/c1-2-11-14-15-12(18-11)13-6-8-16-7-4-3-5-10(16)9-17/h10,17H,2-9H2,1H3,(H,13,15)
• InChIKey: YPEOMTAHNIKUDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}piperidin-2-yl)methanol
• IUPAC Traditional name: (1-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}piperidin-2-yl)methanol
• Synonyms: (1-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}piperidin-2-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.5529785
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2222283
• LogD (pH = 7.4): -0.47000006
• Log P: 0.17398997
• Molar Refractivity: 71.8419 cm^3
• Polarizability: 26.368505 Å^3
• Polar Surface Area: 74.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.22
• LOG S: -0.24
• Polar Surface Area: 74.42 Å^2
• Rotatable Bonds: 6