N,N-dimethyl-2-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 55847
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C1NCCC(C1)CC(=O)N(C)C.Cl
• Canonical SMILES: CN(C(=O)CC1CCNCC1)C.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-11(2)9(12)7-8-3-5-10-6-4-8;/h8,10H,3-7H2,1-2H3;1H
• InChIKey: CGQDDWZOJNIVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N,N-dimethyl-2-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N,N-Dimethyl-2-piperidin-4-ylacetamide hydrochloride; N,N-dimethyl-2-(piperidin-4-yl)acetamide hydrochloride

Database IDs

• CAS Number: 138304-77-5
• MDL Number: MFCD19103482
• PubChem SID: 162060610
• PubChem CID: 54759134

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5121543
• LogD (pH = 7.4): -2.8465707
• Log P: -0.29075682
• Molar Refractivity: 49.266 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.571

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%