4-[1-(1-{[4-(pyridin-2-yl)phenyl]methyl}piperidin-4-yl)ethyl]morpholine

• ChemBase ID: 323580
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: N1(C(C2CCN(Cc3ccc(c4ncccc4)cc3)CC2)C)CCOCC1
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)Cc1ccc(cc1)c1ccccn1
• InChI: InChI=1S/C23H31N3O/c1-19(26-14-16-27-17-15-26)21-9-12-25(13-10-21)18-20-5-7-22(8-6-20)23-4-2-3-11-24-23/h2-8,11,19,21H,9-10,12-18H2,1H3
• InChIKey: DHSGXUONDXYCIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(1-{[4-(pyridin-2-yl)phenyl]methyl}piperidin-4-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[1-(1-{[4-(pyridin-2-yl)phenyl]methyl}piperidin-4-yl)ethyl]morpholine
• Synonyms: 4-(1-{1-[4-(2-pyridinyl)benzyl]-4-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3841014
• LogD (pH = 7.4): 0.8454371
• Log P: 3.4155273
• Molar Refractivity: 110.9704 cm^3
• Polarizability: 44.84776 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.73
• LOG S: -3.19
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5