1-{1-[4-(furan-2-yl)phenyl]piperidin-4-yl}piperidin-4-amine

• ChemBase ID: 701963
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: N1(c2ccc(c3occc3)cc2)CCC(N2CCC(CC2)N)CC1
• Canonical SMILES: NC1CCN(CC1)C1CCN(CC1)c1ccc(cc1)c1ccco1
• InChI: InChI=1S/C20H27N3O/c21-17-7-11-22(12-8-17)19-9-13-23(14-10-19)18-5-3-16(4-6-18)20-2-1-15-24-20/h1-6,15,17,19H,7-14,21H2
• InChIKey: JPMNNVYYXJTYQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[4-(furan-2-yl)phenyl]piperidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: 1-{1-[4-(furan-2-yl)phenyl]piperidin-4-yl}piperidin-4-amine
• Synonyms: 1'-[4-(2-furyl)phenyl]-1,4'-bipiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.91221
• LogD (pH = 7.4): -1.8730794
• Log P: 2.0267456
• Molar Refractivity: 98.8466 cm^3
• Polarizability: 39.345627 Å^3
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.58
• LOG S: -2.77
• Polar Surface Area: 45.64 Å^2
• Rotatable Bonds: 3