benzyl(methyl)(piperidin-4-ylmethyl)amine

• ChemBase ID: 268992
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1CCC(CN(Cc2ccccc2)C)CC1
• Canonical SMILES: CN(Cc1ccccc1)CC1CCNCC1
• InChI: InChI=1S/C14H22N2/c1-16(11-13-5-3-2-4-6-13)12-14-7-9-15-10-8-14/h2-6,14-15H,7-12H2,1H3
• InChIKey: RKONUTWCBKFEFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)(piperidin-4-ylmethyl)amine
• IUPAC Traditional name: benzyl(methyl)(piperidin-4-ylmethyl)amine
• Synonyms: benzyl(methyl)(piperidin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD05215188
• PubChem SID: 164324902
• PubChem CID: 16767918

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6491356
• LogD (pH = 7.4): -3.1193364
• Log P: 2.0190015
• Molar Refractivity: 69.5751 cm^3
• Polarizability: 27.447323 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.207

Product Information

• Purity: 95%