N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine

• ChemBase ID: 379514
• Molecular Formular: C23H26N2O
• Molecular Mass: 346.46534
• Monoisotopic Mass: 346.20451346
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NCc2oc3c(c2)cccc3)CCC1
• Canonical SMILES: C1CC(NCc2cc3c(o2)cccc3)CN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H26N2O/c1-2-7-18-13-21(12-17(18)6-1)25-11-5-9-20(16-25)24-15-22-14-19-8-3-4-10-23(19)26-22/h1-4,6-8,10,14,20-21,24H,5,9,11-13,15-16H2
• InChIKey: ALIREJNBQSBZQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
• IUPAC Traditional name: N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
• Synonyms: N-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96234
• LogD (pH = 7.4): 2.617763
• Log P: 4.207718
• Molar Refractivity: 105.6023 cm^3
• Polarizability: 42.404594 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.78
• LOG S: -4.13
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 4