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

• ChemBase ID: 62254
• Molecular Formular: C9H20Cl2N2O
• Molecular Mass: 243.1739
• Monoisotopic Mass: 242.09526863
• SMILES: C(=O)(N(C)C)CC1CCNCC1.Cl.Cl
• Canonical SMILES: CN(C(=O)CC1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C9H18N2O.2ClH/c1-11(2)9(12)7-8-3-5-10-6-4-8;;/h8,10H,3-7H2,1-2H3;2*1H
• InChIKey: BJBJDEMBSULYLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483538
• PubChem SID: 162027993
• PubChem CID: 50944294

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false