2-(4-aminopiperidin-1-yl)benzamide

• ChemBase ID: 273603
• Molecular Formular: C12H17N3O
• Molecular Mass: 219.28288
• Monoisotopic Mass: 219.13716218
• SMILES: c1(c(N2CCC(CC2)N)cccc1)C(=O)N
• Canonical SMILES: NC1CCN(CC1)c1ccccc1C(=O)N
• InChI: InChI=1S/C12H17N3O/c13-9-5-7-15(8-6-9)11-4-2-1-3-10(11)12(14)16/h1-4,9H,5-8,13H2,(H2,14,16)
• InChIKey: BDWRGCPAYZUTLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)benzamide
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)benzamide
• Synonyms: 2-(4-aminopiperidin-1-yl)benzamide

Database IDs

• MDL Number: MFCD12137450
• PubChem SID: 164329513
• PubChem CID: 43556899

CALCULATED PROPERTIES

• Acid pKa: 14.865591
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8765168
• LogD (pH = 7.4): -2.3421693
• Log P: 0.14310777
• Molar Refractivity: 64.9468 cm^3
• Polarizability: 24.303656 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): -0.299

Product Information

• Purity: 95%