N-(4-fluorophenyl)-1-[3-(1H-pyrazol-1-yl)propyl]piperidin-3-amine

• ChemBase ID: 448298
• Molecular Formular: C17H23FN4
• Molecular Mass: 302.3897232
• Monoisotopic Mass: 302.19067498
• SMILES: n1n(ccc1)CCCN1CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)CCCn1cccn1
• InChI: InChI=1S/C17H23FN4/c18-15-5-7-16(8-6-15)20-17-4-1-10-21(14-17)11-3-13-22-12-2-9-19-22/h2,5-9,12,17,20H,1,3-4,10-11,13-14H2
• InChIKey: BJOKRZYIOOOFJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-[3-(1H-pyrazol-1-yl)propyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-[3-(pyrazol-1-yl)propyl]piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.83820707
• LogD (pH = 7.4): 0.75582296
• Log P: 2.3624756
• Molar Refractivity: 99.5563 cm^3
• Polarizability: 32.971798 Å^3
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.25
• LOG S: -3.86
• Polar Surface Area: 33.09 Å^2
• Rotatable Bonds: 6