1-cyclopropanecarbonyl-3-[2-(3-fluorophenyl)ethyl]piperidine

• ChemBase ID: 569896
• Molecular Formular: C17H22FNO
• Molecular Mass: 275.3610832
• Monoisotopic Mass: 275.16854255
• SMILES: N1(C(=O)C2CC2)CC(CCc2cc(F)ccc2)CCC1
• Canonical SMILES: Fc1cccc(c1)CCC1CCCN(C1)C(=O)C1CC1
• InChI: InChI=1S/C17H22FNO/c18-16-5-1-3-13(11-16)6-7-14-4-2-10-19(12-14)17(20)15-8-9-15/h1,3,5,11,14-15H,2,4,6-10,12H2
• InChIKey: YKKKYVSRQKKNHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-3-[2-(3-fluorophenyl)ethyl]piperidine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-3-[2-(3-fluorophenyl)ethyl]piperidine
• Synonyms: 1-(cyclopropylcarbonyl)-3-[2-(3-fluorophenyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5778418
• LogD (pH = 7.4): 3.5778422
• Log P: 3.5778422
• Molar Refractivity: 77.7855 cm^3
• Polarizability: 29.911001 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 2.94
• LOG S: -4.14
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4