methyl({[4-(piperidin-1-yl)phenyl]methyl})amine

• ChemBase ID: 35490
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(c2ccc(cc2)CNC)CCCCC1
• Canonical SMILES: CNCc1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C13H20N2/c1-14-11-12-5-7-13(8-6-12)15-9-3-2-4-10-15/h5-8,14H,2-4,9-11H2,1H3
• InChIKey: ABHBNGLDUNAXSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[4-(piperidin-1-yl)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[4-(piperidin-1-yl)phenyl]methyl})amine
• Synonyms: N-Methyl-N-4-(piperidin-1-yl)benzylamine 97%; N-Methyl-N-(4-piperidin-1-ylbenzyl)amine

Database IDs

• CAS Number: 852180-55-3
• MDL Number: MFCD07348564
• PubChem SID: 160998797
• PubChem CID: 7060582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.83626676
• LogD (pH = 7.4): 0.13737747
• Log P: 2.4900045
• Molar Refractivity: 65.8766 cm^3
• Polarizability: 25.193575 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): 2.868

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 95%