3-[(3,5-difluorophenyl)methyl]piperidine

• ChemBase ID: 275257
• Molecular Formular: C12H15F2N
• Molecular Mass: 211.2510064
• Monoisotopic Mass: 211.11725593
• SMILES: c1(cc(cc(c1)F)F)CC1CNCCC1
• Canonical SMILES: Fc1cc(CC2CCCNC2)cc(c1)F
• InChI: InChI=1S/C12H15F2N/c13-11-5-10(6-12(14)7-11)4-9-2-1-3-15-8-9/h5-7,9,15H,1-4,8H2
• InChIKey: JGJRIZLTJLRMOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3,5-difluorophenyl)methyl]piperidine
• IUPAC Traditional name: 3-[(3,5-difluorophenyl)methyl]piperidine
• Synonyms: 3-[(3,5-difluorophenyl)methyl]piperidine

Database IDs

• MDL Number: MFCD16308154
• PubChem SID: 164331167
• PubChem CID: 54593603

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3399022
• LogD (pH = 7.4): 0.24122055
• Log P: 2.886237
• Molar Refractivity: 56.4358 cm^3
• Polarizability: 21.427488 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.158

Product Information

• Purity: 95%