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

• ChemBase ID: 17754
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: C1(CCN2CCCCC2)CCCCN1
• Canonical SMILES: C1CCC(NC1)CCN1CCCCC1
• InChI: InChI=1S/C12H24N2/c1-4-9-14(10-5-1)11-7-12-6-2-3-8-13-12/h12-13H,1-11H2
• InChIKey: SKMHPZXWMNAWGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 14759-07-0
• MDL Number: MFCD00083062
• PubChem SID: 160981061
• PubChem CID: 296291

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3049245
• LogD (pH = 7.4): -2.209457
• Log P: 1.6462251
• Molar Refractivity: 61.5321 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