4-methoxy-N-(piperidin-4-yl)benzamide hydrochloride

• ChemBase ID: 45746
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(NC1CCNCC1)c1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c1-17-12-4-2-10(3-5-12)13(16)15-11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3,(H,15,16);1H
• InChIKey: AQXVTYKROIEQJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(piperidin-4-yl)benzamide hydrochloride
• IUPAC Traditional name: 4-methoxy-N-(piperidin-4-yl)benzamide hydrochloride
• Synonyms: 4-Methoxy-N-(4-piperidinyl)benzamide hydrochloride

Database IDs

• MDL Number: MFCD13559765
• PubChem SID: 162050509
• PubChem CID: 53255541

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 15.169287
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6865547
• LogD (pH = 7.4): -2.0022357
• Log P: 0.5336491
• Molar Refractivity: 66.6527 cm^3
• Polarizability: 25.681328 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false