4-(1-{[3-(benzyloxy)phenyl]methyl}piperidin-3-yl)morpholine

• ChemBase ID: 563740
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(CC(N2CCOCC2)CCC1)Cc1cc(OCc2ccccc2)ccc1
• Canonical SMILES: O1CCN(CC1)C1CCCN(C1)Cc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C23H30N2O2/c1-2-6-20(7-3-1)19-27-23-10-4-8-21(16-23)17-24-11-5-9-22(18-24)25-12-14-26-15-13-25/h1-4,6-8,10,16,22H,5,9,11-15,17-19H2
• InChIKey: NWLGDFCTJBQHGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{[3-(benzyloxy)phenyl]methyl}piperidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{[3-(benzyloxy)phenyl]methyl}piperidin-3-yl)morpholine
• Synonyms: 4-{1-[3-(benzyloxy)benzyl]-3-piperidinyl}morpholine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6582519
• LogD (pH = 7.4): 2.3812368
• Log P: 3.747153
• Molar Refractivity: 109.9813 cm^3
• Polarizability: 43.16478 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 4.24
• LOG S: -2.16