4-(1-{8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}piperidin-3-yl)morpholine

• ChemBase ID: 372831
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: c12oc3c(c1cccc2CN1CC(N2CCOCC2)CCC1)cccc3
• Canonical SMILES: O1CCN(CC1)C1CCCN(C1)Cc1cccc2c1oc1c2cccc1
• InChI: InChI=1S/C22H26N2O2/c1-2-9-21-19(7-1)20-8-3-5-17(22(20)26-21)15-23-10-4-6-18(16-23)24-11-13-25-14-12-24/h1-3,5,7-9,18H,4,6,10-16H2
• InChIKey: INUVWAMJOCQIJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}piperidin-3-yl)morpholine
• IUPAC Traditional name: 4-(1-{8-oxatricyclo[7.4.0.0^2,^7]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylmethyl}piperidin-3-yl)morpholine
• Synonyms: 4-[1-(dibenzo[b,d]furan-4-ylmethyl)-3-piperidinyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1081914
• LogD (pH = 7.4): 1.0475429
• Log P: 3.3583524
• Molar Refractivity: 104.0743 cm^3
• Polarizability: 43.023922 Å^3
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.49
• LOG S: -1.89
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 3