2-(2-phenylethyl)piperidine

• ChemBase ID: 17417
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: c1(CCC2CCCCN2)ccccc1
• Canonical SMILES: C1CCC(NC1)CCc1ccccc1
• InChI: InChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
• InChIKey: MOUYVILUKZKNDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylethyl)piperidine
• IUPAC Traditional name: 2-(2-phenylethyl)piperidine
• Synonyms: 2-Phenethyl-piperidine; 2-(2-Phenylethyl)piperidine; 2-(2-phenylethyl)piperidine

Database IDs

• CAS Number: 159053-39-1
• MDL Number: MFCD02663650
• PubChem SID: 160980724
• PubChem CID: 5190919

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.055425078
• LogD (pH = 7.4): 0.431919
• Log P: 3.1749578
• Molar Refractivity: 60.4742 cm^3
• Polarizability: 24.007336 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.401

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C13H19N

DETAILS

Sigma Aldrich - CBR00209

Other Notes
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Legal Information
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