1-[(4-fluorophenyl)methyl]piperidin-3-amine

• ChemBase ID: 307640
• Molecular Formular: C12H17FN2
• Molecular Mass: 208.2751832
• Monoisotopic Mass: 208.13757677
• SMILES: N1(Cc2ccc(F)cc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)Cc1ccc(cc1)F
• InChI: InChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)8-15-7-1-2-12(14)9-15/h3-6,12H,1-2,7-9,14H2
• InChIKey: NMGICMVQPPCKCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(4-fluorophenyl)methyl]piperidin-3-amine
• IUPAC Traditional name: 1-[(4-fluorophenyl)methyl]piperidin-3-amine
• Synonyms: 1-(4-fluorobenzyl)-3-piperidinamine

Database IDs

• CAS Number: 1044769-61-0
• MDL Number: MFCD11048169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0102773
• LogD (pH = 7.4): -0.4796471
• Log P: 1.7259252
• Molar Refractivity: 59.9781 cm^3
• Polarizability: 23.346273 Å^3
• Polar Surface Area: 29.26 Å^2