ethyl 4-(2-phenylethyl)piperidine-4-carboxylate

• ChemBase ID: 587773
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: C(=O)(C1(CCc2ccccc2)CCNCC1)OCC
• Canonical SMILES: CCOC(=O)C1(CCc2ccccc2)CCNCC1
• InChI: InChI=1S/C16H23NO2/c1-2-19-15(18)16(10-12-17-13-11-16)9-8-14-6-4-3-5-7-14/h3-7,17H,2,8-13H2,1H3
• InChIKey: POJVSTHZRYDQKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(2-phenylethyl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 4-(2-phenylethyl)piperidine-4-carboxylate
• Synonyms: ethyl 4-(2-phenylethyl)piperidine-4-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22772178
• LogD (pH = 7.4): 0.76635593
• Log P: 2.9618897
• Molar Refractivity: 76.391 cm^3
• Polarizability: 30.31179 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.47
• LOG S: -3.06
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6