1-(furan-3-ylmethyl)-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 772494
• Molecular Formular: C14H22N2O
• Molecular Mass: 234.33728
• Monoisotopic Mass: 234.17321333
• SMILES: N1(CC(N2CCCC2)CCC1)Cc1cocc1
• Canonical SMILES: C1CN(Cc2cocc2)CC(C1)N1CCCC1
• InChI: InChI=1S/C14H22N2O/c1-2-8-16(7-1)14-4-3-6-15(11-14)10-13-5-9-17-12-13/h5,9,12,14H,1-4,6-8,10-11H2
• InChIKey: UOLJOTWOWBYDGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-3-ylmethyl)-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-(furan-3-ylmethyl)-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 1-(3-furylmethyl)-3-(1-pyrrolidinyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6842831
• LogD (pH = 7.4): -0.4309226
• Log P: 1.9448947
• Molar Refractivity: 69.8854 cm^3
• Polarizability: 27.203033 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.24
• LOG S: -0.08
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 3