5-(piperidin-1-yl)isoquinolin-8-amine

• ChemBase ID: 252568
• Molecular Formular: C14H17N3
• Molecular Mass: 227.30488
• Monoisotopic Mass: 227.14224756
• SMILES: c1(c2c(c(cc1)N)cncc2)N1CCCCC1
• Canonical SMILES: Nc1ccc(c2c1cncc2)N1CCCCC1
• InChI: InChI=1S/C14H17N3/c15-13-4-5-14(17-8-2-1-3-9-17)11-6-7-16-10-12(11)13/h4-7,10H,1-3,8-9,15H2
• InChIKey: FQYACGNUUDWZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-1-yl)isoquinolin-8-amine
• IUPAC Traditional name: 5-(piperidin-1-yl)isoquinolin-8-amine
• Synonyms: 5-piperidin-1-ylisoquinolin-8-amine

Database IDs

• MDL Number: MFCD08444402
• PubChem SID: 164308478
• PubChem CID: 16227298

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6794734
• LogD (pH = 7.4): 1.6138083
• Log P: 1.8745341
• Molar Refractivity: 71.6223 cm^3
• Polarizability: 27.746542 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 3.037

Product Information

• Purity: 95%