methyl({[2-(piperidin-1-ylmethyl)phenyl]methyl})amine

• ChemBase ID: 59475
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N1(Cc2c(CNC)cccc2)CCCCC1
• Canonical SMILES: CNCc1ccccc1CN1CCCCC1
• InChI: InChI=1S/C14H22N2/c1-15-11-13-7-3-4-8-14(13)12-16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-12H2,1H3
• InChIKey: RLFLKNXWHSUKCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(piperidin-1-ylmethyl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[2-(piperidin-1-ylmethyl)phenyl]methyl})amine
• Synonyms: N-Methyl-1-[2-(piperidin-1-ylmethyl)phenyl]-methanamine

Database IDs

• MDL Number: MFCD08060621
• PubChem SID: 162064238
• PubChem CID: 46784134

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.142075
• LogD (pH = 7.4): -1.653503
• Log P: 2.3233576
• Molar Refractivity: 69.9907 cm^3
• Polarizability: 27.442165 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false