ethyl 1-(piperidin-4-yl)piperidine-4-carboxylate

• ChemBase ID: 310348
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: N1(CCC(C(=O)OCC)CC1)C1CCNCC1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C1CCNCC1
• InChI: InChI=1S/C13H24N2O2/c1-2-17-13(16)11-5-9-15(10-6-11)12-3-7-14-8-4-12/h11-12,14H,2-10H2,1H3
• InChIKey: MAEZHBHHHAZLBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(piperidin-4-yl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-(piperidin-4-yl)piperidine-4-carboxylate
• Synonyms: ethyl 1,4'-bipiperidine-4-carboxylate

Database IDs

• CAS Number: 344779-08-4
• MDL Number: MFCD05864534

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.762671
• LogD (pH = 7.4): -2.6368022
• Log P: 0.4097403
• Molar Refractivity: 68.0441 cm^3
• Polarizability: 27.033255 Å^3
• Polar Surface Area: 41.57 Å^2