1-(piperidin-2-ylmethyl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 273210
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: N1(C(=O)CCC1)CC1NCCCC1.Cl
• Canonical SMILES: O=C1CCCN1CC1CCCCN1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10-5-3-7-12(10)8-9-4-1-2-6-11-9;/h9,11H,1-8H2;1H
• InChIKey: UKDMCWOWHFUSGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-2-ylmethyl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(piperidin-2-ylmethyl)pyrrolidin-2-one hydrochloride
• Synonyms: 1-(piperidin-2-ylmethyl)pyrrolidin-2-one hydrochloride

Database IDs

• MDL Number: MFCD18483290
• PubChem SID: 164329120
• PubChem CID: 54592784

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.997901
• LogD (pH = 7.4): -1.9907318
• Log P: 0.18979655
• Molar Refractivity: 51.6912 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 0.528

Product Information

• Purity: 95%