1-(3-fluorophenyl)piperidin-3-amine

• ChemBase ID: 275827
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1(c2cc(F)ccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)c1cccc(c1)F
• InChI: InChI=1S/C11H15FN2/c12-9-3-1-5-11(7-9)14-6-2-4-10(13)8-14/h1,3,5,7,10H,2,4,6,8,13H2
• InChIKey: CNCLASSKQJMEJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(3-fluorophenyl)piperidin-3-amine
• Synonyms: 1-(3-fluorophenyl)piperidin-3-amine

Database IDs

• MDL Number: MFCD16074670
• PubChem SID: 164331737
• PubChem CID: 54593540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1208748
• LogD (pH = 7.4): -0.47125152
• Log P: 1.8925723
• Molar Refractivity: 55.864 cm^3
• Polarizability: 21.122595 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.038

Product Information

• Purity: 95%