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

• ChemBase ID: 110516
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: C1CCN(CC1)CCN1CCCCC1
• Canonical SMILES: C1CCN(CC1)CCN1CCCCC1
• InChI: InChI=1S/C12H24N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H2
• InChIKey: UYMQPNRUQXPLCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(piperidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 1-[2-(piperidin-1-yl)ethyl]piperidine
• Synonyms: 1,2-bis(PIPERIDINO)ETHANE

Database IDs

• CAS Number: 1932-04-3
• PubChem SID: 162096473
• PubChem CID: 74733

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0176628
• LogD (pH = 7.4): -0.4288979
• Log P: 1.9095463
• Molar Refractivity: 62.2912 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215354

MP Biomedicals Rare Chemical collection