1-(4-chlorophenyl)-N-methylpiperidin-4-amine

• ChemBase ID: 267799
• Molecular Formular: C12H17ClN2
• Molecular Mass: 224.72978
• Monoisotopic Mass: 224.10802623
• SMILES: N1(c2ccc(cc2)Cl)CCC(CC1)NC
• Canonical SMILES: CNC1CCN(CC1)c1ccc(cc1)Cl
• InChI: InChI=1S/C12H17ClN2/c1-14-11-6-8-15(9-7-11)12-4-2-10(13)3-5-12/h2-5,11,14H,6-9H2,1H3
• InChIKey: ILNAXZSZQRYEEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-N-methylpiperidin-4-amine
• IUPAC Traditional name: 1-(4-chlorophenyl)-N-methylpiperidin-4-amine
• Synonyms: 1-(4-chlorophenyl)-N-methylpiperidin-4-amine

Database IDs

• MDL Number: MFCD12164688
• PubChem SID: 164323709
• PubChem CID: 19092281

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9042167
• LogD (pH = 7.4): -0.42890447
• Log P: 2.3290925
• Molar Refractivity: 65.4478 cm^3
• Polarizability: 25.16428 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 2.023

Product Information

• Purity: 95%