1-[(1-methylpiperidin-2-yl)methyl]piperazine

• ChemBase ID: 271898
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: N1(C(CN2CCNCC2)CCCC1)C
• Canonical SMILES: CN1CCCCC1CN1CCNCC1
• InChI: InChI=1S/C11H23N3/c1-13-7-3-2-4-11(13)10-14-8-5-12-6-9-14/h11-12H,2-10H2,1H3
• InChIKey: IIPVEBCCKBYRMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methylpiperidin-2-yl)methyl]piperazine
• IUPAC Traditional name: 1-[(1-methylpiperidin-2-yl)methyl]piperazine
• Synonyms: 1-[(1-methylpiperidin-2-yl)methyl]piperazine

Database IDs

• MDL Number: MFCD03412121
• PubChem SID: 164327808
• PubChem CID: 4914648

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.648391
• LogD (pH = 7.4): -2.9434576
• Log P: 0.58301884
• Molar Refractivity: 60.5748 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.439

Product Information

• Purity: 95%