4-(4-methylpiperidin-1-yl)aniline hydrochloride

• ChemBase ID: 249497
• Molecular Formular: C12H19ClN2
• Molecular Mass: 226.74566
• Monoisotopic Mass: 226.1236763
• SMILES: N1(c2ccc(N)cc2)CCC(CC1)C.Cl
• Canonical SMILES: CC1CCN(CC1)c1ccc(cc1)N.Cl
• InChI: InChI=1S/C12H18N2.ClH/c1-10-6-8-14(9-7-10)12-4-2-11(13)3-5-12;/h2-5,10H,6-9,13H2,1H3;1H
• InChIKey: ZKKRNSDSAFXEPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methylpiperidin-1-yl)aniline hydrochloride
• IUPAC Traditional name: 4-(4-methylpiperidin-1-yl)aniline hydrochloride
• Synonyms: 4-(4-methylpiperidin-1-yl)aniline hydrochloride

Database IDs

• MDL Number: MFCD00156241
• PubChem SID: 164305407
• PubChem CID: 2873393

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6914986
• LogD (pH = 7.4): 2.1724465
• Log P: 2.389749
• Molar Refractivity: 61.8776 cm^3
• Polarizability: 22.949396 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 238 - 240°C
• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%
• Salt Data: HCl