ethyl 1-(propan-2-yl)piperidine-3-carboxylate

• ChemBase ID: 57570
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: C1CN(CC(C1)C(=O)OCC)C(C)C
• Canonical SMILES: CCOC(=O)C1CCCN(C1)C(C)C
• InChI: InChI=1S/C11H21NO2/c1-4-14-11(13)10-6-5-7-12(8-10)9(2)3/h9-10H,4-8H2,1-3H3
• InChIKey: ILEWGMFFMZYVCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(propan-2-yl)piperidine-3-carboxylate
• IUPAC Traditional name: ethyl 1-isopropylpiperidine-3-carboxylate
• Synonyms: Ethyl 1-isopropylpiperidine-3-carboxylate

Database IDs

• MDL Number: MFCD13248694
• PubChem SID: 162062333
• PubChem CID: 13905180

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5981641
• LogD (pH = 7.4): -0.11541562
• Log P: 1.6952726
• Molar Refractivity: 56.9011 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false