2-phenylpiperidine

• ChemBase ID: 24606
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: N1C(c2ccccc2)CCCC1
• Canonical SMILES: C1CCC(NC1)c1ccccc1
• InChI: InChI=1S/C11H15N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7,11-12H,4-5,8-9H2
• InChIKey: WGIAUTGOUJDVEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpiperidine
• IUPAC Traditional name: 2-phenylpiperidine
• Synonyms: 2-Phenylpiperidine; (Piperidin-2-yl)benzene

Database IDs

• CAS Number: 3466-80-6
• MDL Number: MFCD00270125
• PubChem SID: 160987913
• PubChem CID: 103020

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7595009
• LogD (pH = 7.4): 0.14360544
• Log P: 2.4417279
• Molar Refractivity: 51.1182 cm^3
• Polarizability: 20.390646 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-72°C/0.45mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false