2-(3-aminopiperidin-1-yl)benzamide

• ChemBase ID: 272424
• Molecular Formular: C12H17N3O
• Molecular Mass: 219.28288
• Monoisotopic Mass: 219.13716218
• SMILES: c1(c(N2CC(N)CCC2)cccc1)C(=O)N
• Canonical SMILES: NC1CCCN(C1)c1ccccc1C(=O)N
• InChI: InChI=1S/C12H17N3O/c13-9-4-3-7-15(8-9)11-6-2-1-5-10(11)12(14)16/h1-2,5-6,9H,3-4,7-8,13H2,(H2,14,16)
• InChIKey: UYTZJMNARAGZAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminopiperidin-1-yl)benzamide
• IUPAC Traditional name: 2-(3-aminopiperidin-1-yl)benzamide
• Synonyms: 2-(3-aminopiperidin-1-yl)benzamide

Database IDs

• MDL Number: MFCD14617932
• PubChem SID: 164328334
• PubChem CID: 50989735

CALCULATED PROPERTIES

• Acid pKa: 14.862211
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4129295
• LogD (pH = 7.4): -1.7632972
• Log P: 0.6005107
• Molar Refractivity: 64.726 cm^3
• Polarizability: 24.303595 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.433

Product Information

• Purity: 95%