1-{1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl}piperidine

• ChemBase ID: 489113
• Molecular Formular: C13H19ClN2O
• Molecular Mass: 254.75576
• Monoisotopic Mass: 254.11859092
• SMILES: N1(CC(N2CCCCC2)C1)Cc1oc(cc1)Cl
• Canonical SMILES: Clc1ccc(o1)CN1CC(C1)N1CCCCC1
• InChI: InChI=1S/C13H19ClN2O/c14-13-5-4-12(17-13)10-15-8-11(9-15)16-6-2-1-3-7-16/h4-5,11H,1-3,6-10H2
• InChIKey: UINXTBQGXJOVOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl}piperidine
• IUPAC Traditional name: 1-{1-[(5-chlorofuran-2-yl)methyl]azetidin-3-yl}piperidine
• Synonyms: 1-{1-[(5-chloro-2-furyl)methyl]azetidin-3-yl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.60303783
• LogD (pH = 7.4): 1.1710336
• Log P: 2.0511973
• Molar Refractivity: 69.6598 cm^3
• Polarizability: 27.311737 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: 1.76
• LOG S: -1.55
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 3