4-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-[(4-methoxyphenyl)methyl]morpholine

• ChemBase ID: 794357
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: N1(C2CCN(Cc3occc3)CC2)CC(OCC1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC1OCCN(C1)C1CCN(CC1)Cc1ccco1
• InChI: InChI=1S/C22H30N2O3/c1-25-20-6-4-18(5-7-20)15-22-17-24(12-14-27-22)19-8-10-23(11-9-19)16-21-3-2-13-26-21/h2-7,13,19,22H,8-12,14-17H2,1H3
• InChIKey: XDRIWJJBORZMCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-[(4-methoxyphenyl)methyl]morpholine
• IUPAC Traditional name: 4-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-[(4-methoxyphenyl)methyl]morpholine
• Synonyms: 4-[1-(2-furylmethyl)-4-piperidinyl]-2-(4-methoxybenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9823921
• LogD (pH = 7.4): 1.3932699
• Log P: 2.698425
• Molar Refractivity: 107.0182 cm^3
• Polarizability: 41.7678 Å^3
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.99
• LOG S: -2.08
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 5