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

• ChemBase ID: 17626
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: C1(CCN2CCCCC2)CCNCC1
• Canonical SMILES: C1CCN(CC1)CCC1CCNCC1
• InChI: InChI=1S/C12H24N2/c1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12/h12-13H,1-11H2
• InChIKey: FKYVHDSPGMMDFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 4-[2-(piperidin-1-yl)ethyl]piperidine
• Synonyms: 1-Piperidino-2-[4]piperidyl-ethane

Database IDs

• CAS Number: 14759-09-2
• MDL Number: MFCD00053588
• PubChem SID: 160980933
• PubChem CID: 296292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.183257
• LogD (pH = 7.4): -3.8466349
• Log P: 1.5115094
• Molar Refractivity: 61.7825 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false