4-(2-{1-[2-(3-fluorophenyl)ethyl]piperidin-2-yl}ethyl)morpholine

• ChemBase ID: 527112
• Molecular Formular: C19H29FN2O
• Molecular Mass: 320.4447632
• Monoisotopic Mass: 320.22639178
• SMILES: N1(C(CCN2CCOCC2)CCCC1)CCc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CCN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C19H29FN2O/c20-18-5-3-4-17(16-18)7-11-22-9-2-1-6-19(22)8-10-21-12-14-23-15-13-21/h3-5,16,19H,1-2,6-15H2
• InChIKey: YQKPHQNNEBLYSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-{1-[2-(3-fluorophenyl)ethyl]piperidin-2-yl}ethyl)morpholine
• IUPAC Traditional name: 4-(2-{1-[2-(3-fluorophenyl)ethyl]piperidin-2-yl}ethyl)morpholine
• Synonyms: 4-(2-{1-[2-(3-fluorophenyl)ethyl]-2-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9028239
• LogD (pH = 7.4): 1.0981987
• Log P: 3.1162426
• Molar Refractivity: 93.3433 cm^3
• Polarizability: 36.127544 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.61
• LOG S: -1.22
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6