3-(piperidin-4-yl)-1,3-oxazolidin-2-one

• ChemBase ID: 309561
• Molecular Formular: C8H14N2O2
• Molecular Mass: 170.20896
• Monoisotopic Mass: 170.1055277
• SMILES: C1(=O)N(C2CCNCC2)CCO1
• Canonical SMILES: O=C1OCCN1C1CCNCC1
• InChI: InChI=1S/C8H14N2O2/c11-8-10(5-6-12-8)7-1-3-9-4-2-7/h7,9H,1-6H2
• InChIKey: SQGSXVBOGZMGFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(piperidin-4-yl)-1,3-oxazolidin-2-one
• Synonyms: 3-(4-piperidinyl)-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 164518-96-1
• MDL Number: MFCD11040536

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7115707
• LogD (pH = 7.4): -3.0265834
• Log P: -0.4914118
• Molar Refractivity: 44.0703 cm^3
• Polarizability: 17.466167 Å^3
• Polar Surface Area: 41.57 Å^2