4-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine

• ChemBase ID: 34546
• Molecular Formular: C14H28N2
• Molecular Mass: 224.38552
• Monoisotopic Mass: 224.22524891
• SMILES: C1NCCC(C1)CCN1CCC(CC1)CC
• Canonical SMILES: CCC1CCN(CC1)CCC1CCNCC1
• InChI: InChI=1S/C14H28N2/c1-2-13-5-10-16(11-6-13)12-7-14-3-8-15-9-4-14/h13-15H,2-12H2,1H3
• InChIKey: QBNLOYSRYBLXQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine
• IUPAC Traditional name: 4-ethyl-1-[2-(piperidin-4-yl)ethyl]piperidine
• Synonyms: 4-Ethyl-1-(2-piperidin-4-ylethyl)piperidine

Database IDs

• CAS Number: 1000958-55-3
• MDL Number: MFCD09837354
• PubChem SID: 160997853
• PubChem CID: 25219514

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4629774
• LogD (pH = 7.4): -3.25049
• Log P: 2.2430973
• Molar Refractivity: 70.9321 cm^3
• Polarizability: 28.150137 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false