methyl({[3-(piperidin-1-ylmethyl)phenyl]methyl})amine

• ChemBase ID: 92487
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(CCCCC1)Cc1cc(ccc1)CNC
• Canonical SMILES: CNCc1cccc(c1)CN1CCCCC1
• InChI: InChI=1S/C14H22N2/c1-15-11-13-6-5-7-14(10-13)12-16-8-3-2-4-9-16/h5-7,10,15H,2-4,8-9,11-12H2,1H3
• InChIKey: FAGCSPRVKJDWBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(piperidin-1-ylmethyl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(piperidin-1-ylmethyl)phenyl]methyl})amine
• Synonyms: N-methyl-N-[3-(piperidin-1-ylmethyl)benzyl]amine; N-Methyl-N-[3-(piperidin-1-ylmethyl)benzyl]amine 97%

Database IDs

• CAS Number: 868755-58-2
• MDL Number: MFCD08060527
• PubChem SID: 162079185
• PubChem CID: 7537589

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.099074
• LogD (pH = 7.4): -1.5598872
• Log P: 2.3233576
• Molar Refractivity: 69.9907 cm^3
• Polarizability: 27.442162 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%