N-(piperidin-4-ylmethyl)acetamide hydrochloride

• ChemBase ID: 258122
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(NCC1CCNCC1)C.Cl
• Canonical SMILES: CC(=O)NCC1CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-7(11)10-6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3,(H,10,11);1H
• InChIKey: XGUOFCVIJVIROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11811761
• PubChem SID: 164314032
• PubChem CID: 42943436

CALCULATED PROPERTIES

• Acid pKa: 16.324738
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9235198
• 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: 184 - 186°C
• Hydrophobicity(logP): -0.847

Product Information

• Purity: 95%