ethyl 1-cyclohexanecarbonylpiperidine-4-carboxylate

• ChemBase ID: 72255
• Molecular Formular: C15H25NO3
• Molecular Mass: 267.3639
• Monoisotopic Mass: 267.18344367
• SMILES: N1(C(=O)C2CCCCC2)CCC(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)C1CCCCC1
• InChI: InChI=1S/C15H25NO3/c1-2-19-15(18)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12/h12-13H,2-11H2,1H3
• InChIKey: OJWMQRNBYOVBON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-cyclohexanecarbonylpiperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-cyclohexanecarbonylpiperidine-4-carboxylate
• Synonyms: Ethyl 1-(cyclohexylcarbonyl)-piperidine-4-carboxylate

Database IDs

• PubChem SID: 162104085
• PubChem CID: 808378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1063695
• LogD (pH = 7.4): 2.1063786
• Log P: 2.1063788
• Molar Refractivity: 73.3611 cm^3
• Polarizability: 28.884956 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT