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

• ChemBase ID: 34140
• Molecular Formular: C13H26N2
• Molecular Mass: 210.35894
• Monoisotopic Mass: 210.20959884
• SMILES: N1(CCC(CC1)C)CCC1CCNCC1
• Canonical SMILES: CC1CCN(CC1)CCC1CCNCC1
• InChI: InChI=1S/C13H26N2/c1-12-4-9-15(10-5-12)11-6-13-2-7-14-8-3-13/h12-14H,2-11H2,1H3
• InChIKey: ODFRNPPHHZRTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05022459
• PubChem SID: 160997447
• PubChem CID: 3311110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.907253
• LogD (pH = 7.4): -3.6910102
• Log P: 1.7985286
• Molar Refractivity: 66.3311 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