1-(piperidin-4-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride

• ChemBase ID: 246831
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: N1(C(=O)C=CC1=O)CC1CCNCC1.Cl
• Canonical SMILES: O=C1C=CC(=O)N1CC1CCNCC1.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c13-9-1-2-10(14)12(9)7-8-3-5-11-6-4-8;/h1-2,8,11H,3-7H2;1H
• InChIKey: ZBGMVUTXQPUMBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-ylmethyl)pyrrole-2,5-dione hydrochloride
• Synonyms: 1-(piperidin-4-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride

Database IDs

• PubChem SID: 164302741
• PubChem CID: 71758084

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5291324
• LogD (pH = 7.4): -2.861457
• Log P: -0.3078679
• Molar Refractivity: 53.2225 cm^3
• Polarizability: 20.27368 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 0.051

Product Information

• Purity: 95%