4-[(3-fluorophenyl)methylidene]piperidine

• ChemBase ID: 259562
• Molecular Formular: C12H14FN
• Molecular Mass: 191.2446632
• Monoisotopic Mass: 191.11102767
• SMILES: C(=C1CCNCC1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C=C1CCNCC1
• InChI: InChI=1S/C12H14FN/c13-12-3-1-2-11(9-12)8-10-4-6-14-7-5-10/h1-3,8-9,14H,4-7H2
• InChIKey: DDIPQUNQCMZFSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3-fluorophenyl)methylidene]piperidine
• IUPAC Traditional name: 4-[(3-fluorophenyl)methylidene]piperidine
• Synonyms: 4-[(3-fluorophenyl)methylidene]piperidine

Database IDs

• MDL Number: MFCD13195812
• PubChem SID: 164315472
• PubChem CID: 15481053

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8569392
• LogD (pH = 7.4): 0.059955478
• Log P: 2.342702
• Molar Refractivity: 57.1464 cm^3
• Polarizability: 21.657562 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.711

Product Information

• Purity: 95%