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

• ChemBase ID: 284008
• Molecular Formular: C10H19ClN2O
• Molecular Mass: 218.72366
• Monoisotopic Mass: 218.11859092
• SMILES: N1(C(=O)CCCC1)C1CCNCC1.Cl
• Canonical SMILES: O=C1CCCCN1C1CCNCC1.Cl
• InChI: InChI=1S/C10H18N2O.ClH/c13-10-3-1-2-8-12(10)9-4-6-11-7-5-9;/h9,11H,1-8H2;1H
• InChIKey: OSKAYEWLVJCVHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02178919
• PubChem SID: 180669539
• PubChem CID: 23138456

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4877734
• LogD (pH = 7.4): -2.8028743
• Log P: -0.26760638
• Molar Refractivity: 51.912 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 277 - 279°C
• Hydrophobicity(logP): -0.316

Product Information

• Purity: 95%