1-(4-fluorophenyl)piperidin-4-amine

• ChemBase ID: 262526
• Molecular Formular: C11H15FN2
• Molecular Mass: 194.2486032
• Monoisotopic Mass: 194.12192671
• SMILES: N1(c2ccc(cc2)F)CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1ccc(cc1)F
• InChI: InChI=1S/C11H15FN2/c12-9-1-3-11(4-2-9)14-7-5-10(13)6-8-14/h1-4,10H,5-8,13H2
• InChIKey: HLMQCQUHBXFHCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)piperidin-4-amine
• Synonyms: 1-(4-fluorophenyl)piperidin-4-amine

Database IDs

• CAS Number: 164721-12-4
• MDL Number: MFCD08059820
• PubChem SID: 164318436
• PubChem CID: 19693945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5953654
• LogD (pH = 7.4): -1.0502572
• Log P: 1.4351695
• Molar Refractivity: 56.0848 cm^3
• Polarizability: 21.122496 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.307

Product Information

• Purity: 95%