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

• ChemBase ID: 88963
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N1(c2ccc(cc2)CNCCC)CCCCC1
• Canonical SMILES: CCCNCc1ccc(cc1)N1CCCCC1
• InChI: InChI=1S/C15H24N2/c1-2-10-16-13-14-6-8-15(9-7-14)17-11-4-3-5-12-17/h6-9,16H,2-5,10-13H2,1H3
• InChIKey: ARYMGIDXUZMGHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 852180-56-4
• MDL Number: MFCD07368525
• PubChem SID: 162075849
• PubChem CID: 7060593

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.026015095
• LogD (pH = 7.4): 0.83327854
• Log P: 3.369335
• Molar Refractivity: 75.1492 cm^3
• Polarizability: 28.887117 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%