1-benzyl-4-(4-methylpiperidin-4-yl)piperazine

• ChemBase ID: 290150
• Molecular Formular: C17H27N3
• Molecular Mass: 273.41638
• Monoisotopic Mass: 273.22049788
• SMILES: CC1(N2CCN(Cc3ccccc3)CC2)CCNCC1
• Canonical SMILES: CC1(CCNCC1)N1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C17H27N3/c1-17(7-9-18-10-8-17)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-6,18H,7-15H2,1H3
• InChIKey: VSXHNVXVLCRGOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-(4-methylpiperidin-4-yl)piperazine
• IUPAC Traditional name: 1-benzyl-4-(4-methylpiperidin-4-yl)piperazine
• Synonyms: 1-Benzyl-4-(4-methylpiperidin-4-yl)piperazine

Database IDs

• CAS Number: 1208089-34-2
• MDL Number: MFCD09743692
• PubChem SID: 180675681
• PubChem CID: 46738262

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1539865
• LogD (pH = 7.4): -1.8391424
• Log P: 1.686097
• Molar Refractivity: 85.4454 cm^3
• Polarizability: 33.76265 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%