4-(2-phenylethyl)piperidine

• ChemBase ID: 17418
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N1CCC(CCc2ccccc2)CC1
• Canonical SMILES: N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C13H19N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,13-14H,6-11H2
• InChIKey: WFTPSTRUUZKFRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethyl)piperidine
• IUPAC Traditional name: 4-(2-phenylethyl)piperidine
• Synonyms: 4-Phenethyl-piperidine; 4-(2-phenylethyl)piperidine

Database IDs

• CAS Number: 24152-41-8
• MDL Number: MFCD05022471
• PubChem SID: 160980725
• PubChem CID: 4341895

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2641401
• LogD (pH = 7.4): 0.19218554
• Log P: 2.967448
• Molar Refractivity: 60.681 cm^3
• Polarizability: 24.00741 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%