4-(piperidin-1-yl)aniline hydrochloride

• ChemBase ID: 11218
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: N1(c2ccc(N)cc2)CCCCC1.Cl
• Canonical SMILES: Nc1ccc(cc1)N1CCCCC1.Cl
• InChI: InChI=1S/C11H16N2.ClH/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h4-7H,1-3,8-9,12H2;1H
• InChIKey: HYLYCYONEOJCCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)aniline hydrochloride
• IUPAC Traditional name: 4-(piperidin-1-yl)aniline hydrochloride
• Synonyms: 4-Piperidin-1-yl-phenylamine hydrochloride

Database IDs

• MDL Number: MFCD02631949
• PubChem SID: 160974525
• PubChem CID: 458796

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.36075887
• LogD (pH = 7.4): 1.8664749
• Log P: 2.1027298
• Molar Refractivity: 57.329 cm^3
• Polarizability: 21.103355 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false