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

• ChemBase ID: 637855
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: c1(occc1)CCCNC1CCNCC1
• Canonical SMILES: N1CCC(CC1)NCCCc1ccco1
• InChI: InChI=1S/C12H20N2O/c1(3-12-4-2-10-15-12)7-14-11-5-8-13-9-6-11/h2,4,10-11,13-14H,1,3,5-9H2
• InChIKey: PBPOXBVIHWOHCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.0183225
• LogD (pH = 7.4): -2.9867315
• Log P: 0.8129219
• Molar Refractivity: 61.3633 cm^3
• Polarizability: 24.174555 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.0
• LOG S: -0.57
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 5