methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)[(2E)-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 754596
• Molecular Formular: C22H30N2O
• Molecular Mass: 338.4864
• Monoisotopic Mass: 338.23581359
• SMILES: c1(oc(cc1)C)CN1CCC(CN(C/C=C/c2ccccc2)C)CC1
• Canonical SMILES: CN(CC1CCN(CC1)Cc1ccc(o1)C)C/C=C/c1ccccc1
• InChI: InChI=1S/C22H30N2O/c1-19-10-11-22(25-19)18-24-15-12-21(13-16-24)17-23(2)14-6-9-20-7-4-3-5-8-20/h3-11,21H,12-18H2,1-2H3/b9-6+
• InChIKey: BAQBMSFOVWVWJB-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• Synonyms: (2E)-N-methyl-N-({1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}methyl)-3-phenyl-2-propen-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.393504
• LogD (pH = 7.4): 0.629414
• Log P: 3.996246
• Molar Refractivity: 107.3416 cm^3
• Polarizability: 41.018284 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.53
• LOG S: -3.79
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 7