{[1-(2-methoxyethyl)piperidin-4-yl]methyl}[(5-methylthiophen-2-yl)methyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 674716
• Molecular Formular: C20H34N2O2S
• Molecular Mass: 366.56116
• Monoisotopic Mass: 366.23409934
• SMILES: s1c(ccc1C)CN(CC1OCCC1)CC1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)CN(Cc1ccc(s1)C)CC1CCCO1
• InChI: InChI=1S/C20H34N2O2S/c1-17-5-6-20(25-17)16-22(15-19-4-3-12-24-19)14-18-7-9-21(10-8-18)11-13-23-2/h5-6,18-19H,3-4,7-16H2,1-2H3
• InChIKey: QNXUQAIJJRMJMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}[(5-methylthiophen-2-yl)methyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)piperidin-4-yl]methyl}[(5-methylthiophen-2-yl)methyl](oxolan-2-ylmethyl)amine
• Synonyms: 1-[1-(2-methoxyethyl)-4-piperidinyl]-N-[(5-methyl-2-thienyl)methyl]-N-(tetrahydro-2-furanylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3230639
• LogD (pH = 7.4): -0.6117666
• Log P: 3.332405
• Molar Refractivity: 106.1142 cm^3
• Polarizability: 41.340508 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.52
• LOG S: -1.33
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 8