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

• ChemBase ID: 18684
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(CCC2NCCCC2)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)CCC1CCCCN1
• InChI: InChI=1S/C13H26N2/c1-12-5-9-15(10-6-12)11-7-13-4-2-3-8-14-13/h12-14H,2-11H2,1H3
• InChIKey: PHATVJZYDAORTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-[2-(piperidin-2-yl)ethyl]piperidine
• IUPAC Traditional name: 4-methyl-1-[2-(piperidin-2-yl)ethyl]piperidine
• Synonyms: 4-Methyl-1-(2-piperidin-2-yl-ethyl)-piperidine; 4-methyl-1-(2-(piperidin-2-yl)ethyl)piperidine

Database IDs

• MDL Number: MFCD05022457
• PubChem SID: 160981991
• PubChem CID: 4114077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1217623
• LogD (pH = 7.4): -2.0496438
• Log P: 1.9332442
• Molar Refractivity: 66.0807 cm^3
• Polarizability: 26.303617 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