N-[2-(piperidin-2-yl)ethyl]acetamide

• ChemBase ID: 34134
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C1CNC(CC1)CCNC(=O)C
• Canonical SMILES: CC(=O)NCCC1CCCCN1
• InChI: InChI=1S/C9H18N2O/c1-8(12)10-7-5-9-4-2-3-6-11-9/h9,11H,2-7H2,1H3,(H,10,12)
• InChIKey: KAIPSSANSKXTLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperidin-2-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(piperidin-2-yl)ethyl]acetamide
• Synonyms: N-(2-Piperidin-2-ylethyl)acetamide

Database IDs

• CAS Number: 886506-48-5
• MDL Number: MFCD06408776
• PubChem SID: 160997441
• PubChem CID: 4712475

CALCULATED PROPERTIES

• Acid pKa: 16.381601
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4313865
• LogD (pH = 7.4): -2.946056
• Log P: -0.20092274
• Molar Refractivity: 48.7646 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false