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

• ChemBase ID: 423917
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NCc2cocc2)CCC1
• Canonical SMILES: C1CC(NCc2ccoc2)CN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H24N2O/c1-2-5-17-11-19(10-16(17)4-1)21-8-3-6-18(13-21)20-12-15-7-9-22-14-15/h1-2,4-5,7,9,14,18-20H,3,6,8,10-13H2
• InChIKey: AEXARQCLUBEQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.08455918
• LogD (pH = 7.4): 1.5164354
• Log P: 3.2688391
• Molar Refractivity: 89.3971 cm^3
• Polarizability: 34.81733 Å^3
• Polar Surface Area: 28.41 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 3.4
• LOG S: -2.6
• Polar Surface Area: 28.41 Å^2