1-{[5-(methoxymethyl)furan-2-yl]methyl}-N-methyl-N-(2-phenylethyl)piperidin-3-amine

• ChemBase ID: 382764
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: N1(CC(N(CCc2ccccc2)C)CCC1)Cc1oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)CN1CCCC(C1)N(CCc1ccccc1)C
• InChI: InChI=1S/C21H30N2O2/c1-22(14-12-18-7-4-3-5-8-18)19-9-6-13-23(15-19)16-20-10-11-21(25-20)17-24-2/h3-5,7-8,10-11,19H,6,9,12-17H2,1-2H3
• InChIKey: BHVJUKDYKHRGCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[5-(methoxymethyl)furan-2-yl]methyl}-N-methyl-N-(2-phenylethyl)piperidin-3-amine
• IUPAC Traditional name: 1-{[5-(methoxymethyl)furan-2-yl]methyl}-N-methyl-N-(2-phenylethyl)piperidin-3-amine
• Synonyms: 1-{[5-(methoxymethyl)-2-furyl]methyl}-N-methyl-N-(2-phenylethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.26431218
• LogD (pH = 7.4): 1.0308113
• Log P: 3.2680104
• Molar Refractivity: 103.0341 cm^3
• Polarizability: 39.989754 Å^3
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.92
• LOG S: -1.94
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 7