N-methyl-3-(piperidin-4-yloxy)propanamide hydrochloride

• ChemBase ID: 235006
• Molecular Formular: C9H19ClN2O2
• Molecular Mass: 222.71236
• Monoisotopic Mass: 222.11350554
• SMILES: C(=O)(CCOC1CCNCC1)NC.Cl
• Canonical SMILES: CNC(=O)CCOC1CCNCC1.Cl
• InChI: InChI=1S/C9H18N2O2.ClH/c1-10-9(12)4-7-13-8-2-5-11-6-3-8;/h8,11H,2-7H2,1H3,(H,10,12);1H
• InChIKey: YDPSAQRYUDBEDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(piperidin-4-yloxy)propanamide hydrochloride
• IUPAC Traditional name: N-methyl-3-(piperidin-4-yloxy)propanamide hydrochloride
• Synonyms: N-methyl-3-(piperidin-4-yloxy)propanamide hydrochloride

Database IDs

• MDL Number: MFCD22056354
• PubChem SID: 164290916
• PubChem CID: 71755408

CALCULATED PROPERTIES

• Acid pKa: 16.159664
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.3198977
• LogD (pH = 7.4): -3.6314917
• Log P: -1.0999628
• Molar Refractivity: 50.6718 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 89 - 91°C
• Hydrophobicity(logP): -1.17

Product Information

• Purity: 95%