3-(2-ethylbutyl)piperidine

• ChemBase ID: 50191
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: N1CC(CC(CC)CC)CCC1
• Canonical SMILES: CCC(CC1CCCNC1)CC
• InChI: InChI=1S/C11H23N/c1-3-10(4-2)8-11-6-5-7-12-9-11/h10-12H,3-9H2,1-2H3
• InChIKey: LJISCEJMUPJRHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethylbutyl)piperidine
• IUPAC Traditional name: 3-(2-ethylbutyl)piperidine
• Synonyms: 3-(2-Ethylbutyl)piperidine

Database IDs

• MDL Number: MFCD13562902
• PubChem SID: 162054954
• PubChem CID: 53409218

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.14662187
• LogD (pH = 7.4): 0.22767858
• Log P: 3.0877542
• Molar Refractivity: 54.2596 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false