4-(2-phenylethyl)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine

• ChemBase ID: 382479
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: n1c(onc1CCC)CN1CCC(CCc2ccccc2)CC1
• Canonical SMILES: CCCc1noc(n1)CN1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C19H27N3O/c1-2-6-18-20-19(23-21-18)15-22-13-11-17(12-14-22)10-9-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3
• InChIKey: IYKQQLXFLKZXDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 4.5740814
• Molar Refractivity: 94.3837 cm^3
• Polarizability: 35.93086 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8644912
• LogD (pH = 7.4): 4.3593163

供应商提供(Chembridge)

• Log P: 4.31
• LOG S: -3.84
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0