2-(4-chlorophenyl)-4-[3-(pyridin-3-yl)propyl]morpholine

• ChemBase ID: 679992
• Molecular Formular: C18H21ClN2O
• Molecular Mass: 316.82514
• Monoisotopic Mass: 316.13424098
• SMILES: N1(CC(c2ccc(cc2)Cl)OCC1)CCCc1cnccc1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)CCCc1cccnc1
• InChI: InChI=1S/C18H21ClN2O/c19-17-7-5-16(6-8-17)18-14-21(11-12-22-18)10-2-4-15-3-1-9-20-13-15/h1,3,5-9,13,18H,2,4,10-12,14H2
• InChIKey: CQYHWLCOYYITLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-[3-(pyridin-3-yl)propyl]morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-[3-(pyridin-3-yl)propyl]morpholine
• Synonyms: 2-(4-chlorophenyl)-4-(3-pyridin-3-ylpropyl)morpholine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.6991653
• LogD (pH = 7.4): 3.3576772
• Log P: 3.5999844
• Molar Refractivity: 89.9619 cm^3
• Polarizability: 35.18336 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 3.26
• LOG S: -1.99
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3