N-(piperidin-4-ylmethyl)acetamide

• ChemBase ID: 34133
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1NCCC(C1)CNC(=O)C
• Canonical SMILES: CC(=O)NCC1CCNCC1
• InChI: InChI=1S/C8H16N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h8-9H,2-6H2,1H3,(H,10,11)
• InChIKey: CFRYMBOECAAAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-ylmethyl)acetamide
• IUPAC Traditional name: N-(piperidin-4-ylmethyl)acetamide
• Synonyms: N-(Piperidin-4-ylmethyl)acetamide

Database IDs

• CAS Number: 71207-33-5
• MDL Number: MFCD01595572
• PubChem SID: 160997440
• PubChem CID: 4341747

CALCULATED PROPERTIES

• Acid pKa: 16.324738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9235194
• LogD (pH = 7.4): -3.255869
• Log P: -0.70225334
• Molar Refractivity: 44.337 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): -0.847

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%