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

• ChemBase ID: 33889
• Molecular Formular: C12H16ClFN2O
• Molecular Mass: 258.7196432
• Monoisotopic Mass: 258.09351904
• SMILES: C(=O)(N1CCC(CC1)N)c1ccc(cc1)F.Cl
• Canonical SMILES: NC1CCN(CC1)C(=O)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C12H15FN2O.ClH/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15;/h1-4,11H,5-8,14H2;1H
• InChIKey: LUJNKVBYOQCNKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08690144
• PubChem SID: 160997196
• PubChem CID: 17221654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3927095
• LogD (pH = 7.4): -1.8237667
• Log P: 0.62511796
• Molar Refractivity: 60.528 cm^3
• Polarizability: 22.83702 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false