1-(4-chlorophenyl)piperidin-4-amine

• ChemBase ID: 806252
• Molecular Formular: C11H15ClN2
• Molecular Mass: 210.7032
• Monoisotopic Mass: 210.09237617
• SMILES: C1(CCN(CC1)c1ccc(cc1)Cl)N
• Canonical SMILES: NC1CCN(CC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C11H15ClN2/c12-9-1-3-11(4-2-9)14-7-5-10(13)6-8-14/h1-4,10H,5-8,13H2
• InChIKey: DTMPIHBHYDNQTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)piperidin-4-amine
• IUPAC Traditional name: 1-(4-chlorophenyl)piperidin-4-amine
• Synonyms: 1-(4-CHLOROPHENYL)PIPERIDIN-4-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1308751
• LogD (pH = 7.4): -0.58887386
• Log P: 1.8965122
• Molar Refractivity: 60.6732 cm^3
• Polarizability: 23.321604 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%