N-(piperidin-3-ylmethyl)acetamide

• ChemBase ID: 34142
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: C1CNCC(C1)CNC(=O)C
• Canonical SMILES: CC(=O)NCC1CCCNC1
• InChI: InChI=1S/C8H16N2O/c1-7(11)10-6-8-3-2-4-9-5-8/h8-9H,2-6H2,1H3,(H,10,11)
• InChIKey: TXZBOHMPGYOABD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-(piperidin-3-ylmethyl)acetamide
• Synonyms: N-(Piperidin-3-ylmethyl)acetamide

Database IDs

• CAS Number: 90346-06-8
• MDL Number: MFCD06408774
• PubChem SID: 160997449
• PubChem CID: 4712037

CALCULATED PROPERTIES

• Acid pKa: 16.322943
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8886008
• LogD (pH = 7.4): -3.3439367
• Log P: -0.6606966
• Molar Refractivity: 44.2382 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

• Hydrophobicity(logP): -0.847

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%