{2-[1-(1-benzofuran-5-ylmethyl)piperidin-2-yl]ethyl}dimethylamine

• ChemBase ID: 660288
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: N1(Cc2cc3c(occ3)cc2)C(CCN(C)C)CCCC1
• Canonical SMILES: CN(CCC1CCCCN1Cc1ccc2c(c1)cco2)C
• InChI: InChI=1S/C18H26N2O/c1-19(2)11-8-17-5-3-4-10-20(17)14-15-6-7-18-16(13-15)9-12-21-18/h6-7,9,12-13,17H,3-5,8,10-11,14H2,1-2H3
• InChIKey: ZDHVMIIHLSWWLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[1-(1-benzofuran-5-ylmethyl)piperidin-2-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[1-(1-benzofuran-5-ylmethyl)piperidin-2-yl]ethyl}dimethylamine
• Synonyms: 2-[1-(1-benzofuran-5-ylmethyl)-2-piperidinyl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3138242
• LogD (pH = 7.4): 0.2811566
• Log P: 3.0625033
• Molar Refractivity: 88.1385 cm^3
• Polarizability: 35.51676 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.3
• LOG S: -3.1
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 5