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

• ChemBase ID: 35751
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(CC2CCNCC2)CC(CCC1)C
• Canonical SMILES: CC1CCCN(C1)CC1CCNCC1
• InChI: InChI=1S/C12H24N2/c1-11-3-2-8-14(9-11)10-12-4-6-13-7-5-12/h11-13H,2-10H2,1H3
• InChIKey: IHMUZVOIYBRQJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1-(piperidin-4-ylmethyl)piperidine
• IUPAC Traditional name: 3-methyl-1-(piperidin-4-ylmethyl)piperidine
• Synonyms: 3-Methyl-1-(piperidin-4-ylmethyl)piperidine

Database IDs

• CAS Number: 926254-81-1
• MDL Number: MFCD09041630
• PubChem SID: 160999058
• PubChem CID: 16768126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.185809
• LogD (pH = 7.4): -3.995973
• Log P: 1.5098673
• Molar Refractivity: 61.5761 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false