ethyl 1-benzylpiperidine-2-carboxylate

• ChemBase ID: 278421
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: N1(C(C(=O)OCC)CCCC1)Cc1ccccc1
• Canonical SMILES: CCOC(=O)C1CCCCN1Cc1ccccc1
• InChI: InChI=1S/C15H21NO2/c1-2-18-15(17)14-10-6-7-11-16(14)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
• InChIKey: WCGHYUMBCGJLQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-benzylpiperidine-2-carboxylate
• IUPAC Traditional name: ethyl 1-benzylpiperidine-2-carboxylate
• Synonyms: ethyl 1-benzylpiperidine-2-carboxylate

Database IDs

• CAS Number: 77034-34-5
• MDL Number: MFCD01652570
• PubChem SID: 164334331
• PubChem CID: 2838690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3354654
• LogD (pH = 7.4): 2.7753768
• Log P: 2.9576504
• Molar Refractivity: 72.0903 cm^3
• Polarizability: 28.465437 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.655

Product Information

• Purity: 95%; 98%