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

• ChemBase ID: 286669
• Molecular Formular: C9H19ClN2O2
• Molecular Mass: 222.71236
• Monoisotopic Mass: 222.11350554
• SMILES: C(=O)(N(C)C)COC1CCNCC1.Cl
• Canonical SMILES: CN(C(=O)COC1CCNCC1)C.Cl
• InChI: InChI=1S/C9H18N2O2.ClH/c1-11(2)9(12)7-13-8-3-5-10-6-4-8;/h8,10H,3-7H2,1-2H3;1H
• InChIKey: KODUVRNWQISPQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
• IUPAC Traditional name: N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride
• Synonyms: N,N-dimethyl-2-(piperidin-4-yloxy)acetamide hydrochloride

Database IDs

• MDL Number: MFCD22056519
• PubChem SID: 180672200
• PubChem CID: 73994911

CALCULATED PROPERTIES

• Acid pKa: 19.873762
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3332334
• LogD (pH = 7.4): -3.6448085
• Log P: -1.1132996
• Molar Refractivity: 50.8691 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.998

Product Information

• Purity: 95%