3-(4-chlorophenyl)piperidine

• ChemBase ID: 144003
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: c1cc(ccc1C1CCCNC1)Cl
• Canonical SMILES: Clc1ccc(cc1)C1CCCNC1
• InChI: InChI=1S/C11H14ClN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h3-6,10,13H,1-2,7-8H2
• InChIKey: GLXKIKPTKUQMAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)piperidine
• IUPAC Traditional name: 3-(4-chlorophenyl)piperidine
• Synonyms: 3-(4-Chlorophenyl)piperidine; 3-(4-chlorophenyl)piperidine

Database IDs

• CAS Number: 55989-13-4
• MDL Number: MFCD09055235
• PubChem SID: 162238220
• PubChem CID: 20364575

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.45997497
• LogD (pH = 7.4): 0.22308873
• Log P: 2.7603092
• Molar Refractivity: 56.2068 cm^3
• Polarizability: 22.11552 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H14ClN

DETAILS

Sigma Aldrich - CBR00403

Other Notes
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Legal Information
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