N-[3-(furan-2-yl)-3-phenylpropyl]piperidin-4-amine

• ChemBase ID: 574052
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: c1(occc1)C(c1ccccc1)CCNC1CCNCC1
• Canonical SMILES: N1CCC(CC1)NCCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C18H24N2O/c1-2-5-15(6-3-1)17(18-7-4-14-21-18)10-13-20-16-8-11-19-12-9-16/h1-7,14,16-17,19-20H,8-13H2
• InChIKey: UJHJMEYZFDJRIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-phenylpropyl]piperidin-4-amine
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-phenylpropyl]piperidin-4-amine
• Synonyms: N-[3-(2-furyl)-3-phenylpropyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5358827
• LogD (pH = 7.4): -1.5149138
• Log P: 2.3116987
• Molar Refractivity: 85.9299 cm^3
• Polarizability: 33.79116 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.18
• LOG S: -2.13
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 6