1-(piperidin-3-yl)piperidin-2-one

• ChemBase ID: 272885
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: N1(C(=O)CCCC1)C1CNCCC1
• Canonical SMILES: O=C1CCCCN1C1CCCNC1
• InChI: InChI=1S/C10H18N2O/c13-10-5-1-2-7-12(10)9-4-3-6-11-8-9/h9,11H,1-8H2
• InChIKey: MBHVRGWULQCOHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-3-yl)piperidin-2-one
• IUPAC Traditional name: 1-(piperidin-3-yl)piperidin-2-one
• Synonyms: 1-(piperidin-3-yl)piperidin-2-one

Database IDs

• MDL Number: MFCD09932763
• PubChem SID: 164328795
• PubChem CID: 24694293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.985858
• LogD (pH = 7.4): -1.9055187
• Log P: 0.18979655
• Molar Refractivity: 51.6912 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

• Hydrophobicity(logP): 0.378

Product Information

• Purity: 95%