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

• ChemBase ID: 88964
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N(Cc1ccc(cc1)N1CCCCC1)C(C)C
• Canonical SMILES: CC(NCc1ccc(cc1)N1CCCCC1)C
• InChI: InChI=1S/C15H24N2/c1-13(2)16-12-14-6-8-15(9-7-14)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
• InChIKey: NDBGEFCTVZDCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(piperidin-1-yl)phenyl]methyl}(propan-2-yl)amine
• IUPAC Traditional name: isopropyl({[4-(piperidin-1-yl)phenyl]methyl})amine
• Synonyms: N-(4-piperidin-1-ylbenzyl)propan-2-amine; N-Isopropyl-4-(piperidin-1-yl)benzylamine 97%

Database IDs

• CAS Number: 852180-57-5
• MDL Number: MFCD07368526
• PubChem SID: 162075850
• PubChem CID: 7060595

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.074337415
• LogD (pH = 7.4): 0.7688599
• Log P: 3.2633877
• Molar Refractivity: 75.044 cm^3
• Polarizability: 28.887115 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%