N-cyclopropyl-2-(piperidin-4-yloxy)acetamide hydrochloride

• ChemBase ID: 235551
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: C1(NC(=O)COC2CCNCC2)CC1.Cl
• Canonical SMILES: O=C(NC1CC1)COC1CCNCC1.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c13-10(12-8-1-2-8)7-14-9-3-5-11-6-4-9;/h8-9,11H,1-7H2,(H,12,13);1H
• InChIKey: AVTUWRGGVYCKGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(piperidin-4-yloxy)acetamide hydrochloride
• IUPAC Traditional name: N-cyclopropyl-2-(piperidin-4-yloxy)acetamide hydrochloride
• Synonyms: N-cyclopropyl-2-(piperidin-4-yloxy)acetamide hydrochloride; N-Cyclopropyl-2-(4-piperidinyloxy)acetamide hydrochloride; N-环丙基-2-(4-哌啶氧基)乙酰胺盐酸盐

Database IDs

• MDL Number: MFCD08459588
• PubChem SID: 164291461
• PubChem CID: 71755539

CALCULATED PROPERTIES

• Acid pKa: 15.375362
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.091345
• LogD (pH = 7.4): -3.4029198
• Log P: -0.8714111
• Molar Refractivity: 53.1836 cm^3
• Polarizability: 21.132917 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185°C
• Hydrophobicity(logP): -0.843

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 96%