4-methyl-1-(piperidin-4-ylmethyl)piperidine

• ChemBase ID: 260845
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CC2CCNCC2)CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)CC1CCNCC1
• InChI: InChI=1S/C12H24N2/c1-11-4-8-14(9-5-11)10-12-2-6-13-7-3-12/h11-13H,2-10H2,1H3
• InChIKey: KLEANQMXCTYMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(piperidin-4-ylmethyl)piperidine
• IUPAC Traditional name: 4-methyl-1-(piperidin-4-ylmethyl)piperidine
• Synonyms: 4-methyl-1-(piperidin-4-ylmethyl)piperidine

Database IDs

• CAS Number: 926259-42-9
• MDL Number: MFCD09041218
• PubChem SID: 164316755
• PubChem CID: 16767817

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.25604
• LogD (pH = 7.4): -3.9686599
• Log P: 1.4319136
• Molar Refractivity: 61.6531 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.961

Product Information

• Purity: 95%