1-(2-fluorobenzoyl)piperidin-4-amine

• ChemBase ID: 257738
• Molecular Formular: C12H15FN2O
• Molecular Mass: 222.2587032
• Monoisotopic Mass: 222.11684133
• SMILES: C(=O)(c1c(F)cccc1)N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccccc1F
• InChI: InChI=1S/C12H15FN2O/c13-11-4-2-1-3-10(11)12(16)15-7-5-9(14)6-8-15/h1-4,9H,5-8,14H2
• InChIKey: YBVVDCMQKWGTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorobenzoyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-fluorobenzoyl)piperidin-4-amine
• Synonyms: 1-(2-fluorobenzoyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD06740650
• PubChem SID: 164313648
• PubChem CID: 4778216

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3927085
• LogD (pH = 7.4): -1.8237667
• Log P: 0.62511796
• Molar Refractivity: 60.528 cm^3
• Polarizability: 22.839153 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.032

Product Information

• Purity: 95%