1-(2-phenylethyl)piperidine

• ChemBase ID: 294061
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N1(CCc2ccccc2)CCCCC1
• Canonical SMILES: C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
• InChIKey: DBDVAKGHPZJLTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)piperidine
• IUPAC Traditional name: piperidine, 1-(2-phenylethyl)-
• Synonyms: 1-Phenethylpiperidine

Database IDs

• CAS Number: 6949-43-5
• PubChem SID: 180679592
• PubChem CID: 9513

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.35097998
• LogD (pH = 7.4): 0.86821705
• Log P: 3.05367
• Molar Refractivity: 61.4977 cm^3
• Polarizability: 24.006546 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%