dimethyl[2-({1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl}oxy)ethyl]amine

• ChemBase ID: 324802
• Molecular Formular: C17H30N2O2
• Molecular Mass: 294.4323
• Monoisotopic Mass: 294.23072821
• SMILES: c1(oc(cc1)CCC)CN1CCC(CC1)OCCN(C)C
• Canonical SMILES: CCCc1ccc(o1)CN1CCC(CC1)OCCN(C)C
• InChI: InChI=1S/C17H30N2O2/c1-4-5-16-6-7-17(21-16)14-19-10-8-15(9-11-19)20-13-12-18(2)3/h6-7,15H,4-5,8-14H2,1-3H3
• InChIKey: UTARNNVBHOZWNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-({1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl}oxy)ethyl]amine
• IUPAC Traditional name: dimethyl[2-({1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl}oxy)ethyl]amine
• Synonyms: N,N-dimethyl-2-({1-[(5-propyl-2-furyl)methyl]piperidin-4-yl}oxy)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.7717233
• LogD (pH = 7.4): -0.3536163
• Log P: 2.1213722
• Molar Refractivity: 87.7609 cm^3
• Polarizability: 34.070374 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: 1.95
• LOG S: -2.0
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 8