3-(3-phenylpropyl)piperidine

• ChemBase ID: 50201
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N1CC(CCCc2ccccc2)CCC1
• Canonical SMILES: C1CCC(CN1)CCCc1ccccc1
• InChI: InChI=1S/C14H21N/c1-2-6-13(7-3-1)8-4-9-14-10-5-11-15-12-14/h1-3,6-7,14-15H,4-5,8-12H2
• InChIKey: UUCYUPRGHXODQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-phenylpropyl)piperidine
• IUPAC Traditional name: 3-(3-phenylpropyl)piperidine
• Synonyms: 3-(3-Phenylpropyl)piperidine

Database IDs

• MDL Number: MFCD13562906
• PubChem SID: 162054964
• PubChem CID: 22751027

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.25558716
• LogD (pH = 7.4): 0.62965405
• Log P: 3.4899704
• Molar Refractivity: 65.205 cm^3
• Polarizability: 25.854467 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.93

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%