2-(4-aminopiperidin-1-yl)-N-propylacetamide

• ChemBase ID: 257277
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 199.16846231
• SMILES: N1(CC(=O)NCCC)CCC(CC1)N
• Canonical SMILES: CCCNC(=O)CN1CCC(CC1)N
• InChI: InChI=1S/C10H21N3O/c1-2-5-12-10(14)8-13-6-3-9(11)4-7-13/h9H,2-8,11H2,1H3,(H,12,14)
• InChIKey: GUOVFGXODMAYKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09802455
• PubChem SID: 164313187
• PubChem CID: 20114513

CALCULATED PROPERTIES

• Acid pKa: 16.07509
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.8937287
• LogD (pH = 7.4): -3.5819998
• Log P: -0.82460564
• Molar Refractivity: 57.446 cm^3
• Polarizability: 22.680025 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.278

Product Information

• Purity: 95%