4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-2-ethylpyridine

• ChemBase ID: 512049
• Molecular Formular: C19H21ClN2O2
• Molecular Mass: 344.83524
• Monoisotopic Mass: 344.1291556
• SMILES: C(=O)(N1CCC(Oc2c(Cl)cccc2)CC1)c1cc(ncc1)CC
• Canonical SMILES: CCc1nccc(c1)C(=O)N1CCC(CC1)Oc1ccccc1Cl
• InChI: InChI=1S/C19H21ClN2O2/c1-2-15-13-14(7-10-21-15)19(23)22-11-8-16(9-12-22)24-18-6-4-3-5-17(18)20/h3-7,10,13,16H,2,8-9,11-12H2,1H3
• InChIKey: LHCVVQRYONMMGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-2-ethylpyridine
• IUPAC Traditional name: 4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-2-ethylpyridine
• Synonyms: 4-{[4-(2-chlorophenoxy)-1-piperidinyl]carbonyl}-2-ethylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.131609
• LogD (pH = 7.4): 3.1415987
• Log P: 3.1417277
• Molar Refractivity: 94.7803 cm^3
• Polarizability: 36.508125 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.9
• LOG S: -4.19
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4