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

• ChemBase ID: 250450
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(c2c(CNC)cccc2)CCCCC1
• Canonical SMILES: CNCc1ccccc1N1CCCCC1
• InChI: InChI=1S/C13H20N2/c1-14-11-12-7-3-4-8-13(12)15-9-5-2-6-10-15/h3-4,7-8,14H,2,5-6,9-11H2,1H3
• InChIKey: XESSPLRXNRUMOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07348553
• PubChem SID: 164306360
• PubChem CID: 7064027

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6693364
• LogD (pH = 7.4): 0.50566554
• Log P: 2.4900045
• Molar Refractivity: 65.8766 cm^3
• Polarizability: 25.193867 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.868

Product Information

• Purity: 95%