1-[3-(4-fluorophenoxy)propyl]-4-(piperidine-3-carbonyl)piperazine

• ChemBase ID: 847264
• Molecular Formular: C19H28FN3O2
• Molecular Mass: 349.4429232
• Monoisotopic Mass: 349.21655537
• SMILES: C(=O)(N1CCN(CC1)CCCOc1ccc(F)cc1)C1CNCCC1
• Canonical SMILES: Fc1ccc(cc1)OCCCN1CCN(CC1)C(=O)C1CCCNC1
• InChI: InChI=1S/C19H28FN3O2/c20-17-4-6-18(7-5-17)25-14-2-9-22-10-12-23(13-11-22)19(24)16-3-1-8-21-15-16/h4-7,16,21H,1-3,8-15H2
• InChIKey: LBPRHWNEIGMFMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(4-fluorophenoxy)propyl]-4-(piperidine-3-carbonyl)piperazine
• IUPAC Traditional name: 1-[3-(4-fluorophenoxy)propyl]-4-(piperidine-3-carbonyl)piperazine
• Synonyms: 1-[3-(4-fluorophenoxy)propyl]-4-(piperidin-3-ylcarbonyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2904682
• LogD (pH = 7.4): -0.9327651
• Log P: 1.37038
• Molar Refractivity: 96.221 cm^3
• Polarizability: 37.411762 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.24
• LOG S: -3.66
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 6