3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-2-methoxypyridine

• ChemBase ID: 532137
• Molecular Formular: C18H19FN2O3
• Molecular Mass: 330.3534632
• Monoisotopic Mass: 330.1379707
• SMILES: C(=O)(c1c(nccc1)OC)N1CCC(Oc2cc(F)ccc2)CC1
• Canonical SMILES: COc1ncccc1C(=O)N1CCC(CC1)Oc1cccc(c1)F
• InChI: InChI=1S/C18H19FN2O3/c1-23-17-16(6-3-9-20-17)18(22)21-10-7-14(8-11-21)24-15-5-2-4-13(19)12-15/h2-6,9,12,14H,7-8,10-11H2,1H3
• InChIKey: QVAJOIVCSGHDLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-2-methoxypyridine
• IUPAC Traditional name: 3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-2-methoxypyridine
• Synonyms: 3-{[4-(3-fluorophenoxy)-1-piperidinyl]carbonyl}-2-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2852013
• LogD (pH = 7.4): 2.2852645
• Log P: 2.2852652
• Molar Refractivity: 87.7502 cm^3
• Polarizability: 33.23877 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.52
• LOG S: -3.76
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4