N-[2-(piperidin-4-yl)ethyl]acetamide

• ChemBase ID: 307079
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(NCCC1CCNCC1)C
• Canonical SMILES: CC(=O)NCCC1CCNCC1
• InChI: InChI=1S/C9H18N2O/c1-8(12)11-7-4-9-2-5-10-6-3-9/h9-10H,2-7H2,1H3,(H,11,12)
• InChIKey: HEMNPHJPHULGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperidin-4-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(piperidin-4-yl)ethyl]acetamide
• Synonyms: N-(2-piperidin-4-ylethyl)acetamide

Database IDs

• CAS Number: 70922-35-9
• MDL Number: MFCD06015510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5672255
• LogD (pH = 7.4): -3.1108677
• Log P: -0.3356384
• Molar Refractivity: 49.015 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2