1-(piperidin-4-yl)pyrrolidin-2-one hydrochloride

• ChemBase ID: 289330
• Molecular Formular: C9H17ClN2O
• Molecular Mass: 204.69708
• Monoisotopic Mass: 204.10294085
• SMILES: Cl.O=C1CCCN1C1CCNCC1
• Canonical SMILES: O=C1CCCN1C1CCNCC1.Cl
• InChI: InChI=1S/C9H16N2O.ClH/c12-9-2-1-7-11(9)8-3-5-10-6-4-8;/h8,10H,1-7H2;1H
• InChIKey: PNPJJNPAAUMVJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-4-yl)pyrrolidin-2-one hydrochloride
• IUPAC Traditional name: 1-(piperidin-4-yl)pyrrolidin-2-one hydrochloride
• Synonyms: 1-(Piperidin-4-yl)pyrrolidin-2-one hydrochloride

Database IDs

• CAS Number: 548769-02-4
• MDL Number: MFCD02179174
• PubChem SID: 180674861
• PubChem CID: 23018840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.93234
• LogD (pH = 7.4): -3.247443
• Log P: -0.7121751
• Molar Refractivity: 47.311 cm^3
• Polarizability: 18.585028 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%