N-(3-fluorophenyl)piperidin-3-amine

• ChemBase ID: 506298
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N(c1cc(F)ccc1)C1CNCCC1
• Canonical SMILES: Fc1cccc(c1)NC1CCCNC1
• InChI: InChI=1S/C11H15FN2/c12-9-3-1-4-10(7-9)14-11-5-2-6-13-8-11/h1,3-4,7,11,13-14H,2,5-6,8H2
• InChIKey: JQKIQZWCNBXONS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: N-(3-fluorophenyl)piperidin-3-amine
• Synonyms: N-(3-fluorophenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4913156
• LogD (pH = 7.4): -0.44248903
• Log P: 1.689887
• Molar Refractivity: 56.4038 cm^3
• Polarizability: 21.123339 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 2.1
• LOG S: -1.4
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2