6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride

• ChemBase ID: 246827
• Molecular Formular: C13H22ClN3
• Molecular Mass: 255.78688
• Monoisotopic Mass: 255.1502254
• SMILES: c1(N2CC(CCC2)CC)ncc(cc1C)N.Cl
• Canonical SMILES: CCC1CCCN(C1)c1ncc(cc1C)N.Cl
• InChI: InChI=1S/C13H21N3.ClH/c1-3-11-5-4-6-16(9-11)13-10(2)7-12(14)8-15-13;/h7-8,11H,3-6,9,14H2,1-2H3;1H
• InChIKey: KGOJHRNHBGBFEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride
• IUPAC Traditional name: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride
• Synonyms: 6-(3-ethylpiperidin-1-yl)-5-methylpyridin-3-amine hydrochloride

Database IDs

• PubChem SID: 164302737
• PubChem CID: 71758082

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4523141
• LogD (pH = 7.4): 2.520252
• Log P: 2.8024778
• Molar Refractivity: 69.5994 cm^3
• Polarizability: 25.64052 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 3.252

Product Information

• Purity: 95%