5-chloro-2-(piperidin-1-yl)aniline hydrochloride

• ChemBase ID: 121607
• Molecular Formular: C11H16Cl2N2
• Molecular Mass: 247.16414
• Monoisotopic Mass: 246.06905388
• SMILES: c1(N2CCCCC2)c(cc(cc1)Cl)N.Cl
• Canonical SMILES: Clc1ccc(c(c1)N)N1CCCCC1.Cl
• InChI: InChI=1S/C11H15ClN2.ClH/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14;/h4-5,8H,1-3,6-7,13H2;1H
• InChIKey: HZDBSBKFAAMSNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(piperidin-1-yl)aniline hydrochloride
• IUPAC Traditional name: 5-chloro-2-(piperidin-1-yl)aniline hydrochloride
• Synonyms: 5-chloro-2-piperidin-1-ylaniline hydrochloride; 5-chloro-2-(piperidin-1-yl)aniline hydrochloride

Database IDs

• MDL Number: MFCD03164643
• PubChem SID: 162215960
• PubChem CID: 43810414

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6693702
• LogD (pH = 7.4): 2.706283
• Log P: 2.7067745
• Molar Refractivity: 62.1338 cm^3
• Polarizability: 22.936956 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.317

Product Information

• Purity: 95%
• Salt Data: HCl