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

• ChemBase ID: 610113
• Molecular Formular: C19H24N2O
• Molecular Mass: 296.40666
• Monoisotopic Mass: 296.1888634
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NCc2occc2)CCC1
• Canonical SMILES: C1CC(NCc2ccco2)CN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C19H24N2O/c1-2-6-16-12-18(11-15(16)5-1)21-9-3-7-17(14-21)20-13-19-8-4-10-22-19/h1-2,4-6,8,10,17-18,20H,3,7,9,11-14H2
• InChIKey: JFEMCXQHGFPPDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.02387167
• LogD (pH = 7.4): 1.7237663
• Log P: 3.1888402
• Molar Refractivity: 89.2746 cm^3
• Polarizability: 34.818108 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: 3.4
• LOG S: -2.74
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 4