N-hexylpiperidine-3-carboxamide

• ChemBase ID: 266538
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: C(=O)(C1CNCCC1)NCCCCCC
• Canonical SMILES: CCCCCCNC(=O)C1CCCNC1
• InChI: InChI=1S/C12H24N2O/c1-2-3-4-5-9-14-12(15)11-7-6-8-13-10-11/h11,13H,2-10H2,1H3,(H,14,15)
• InChIKey: DMJRQHBYFYECHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hexylpiperidine-3-carboxamide
• IUPAC Traditional name: N-hexylpiperidine-3-carboxamide
• Synonyms: N-hexylpiperidine-3-carboxamide

Database IDs

• MDL Number: MFCD12079153
• PubChem SID: 164322448
• PubChem CID: 43589709

CALCULATED PROPERTIES

• Acid pKa: 16.357065
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5201294
• LogD (pH = 7.4): -0.50197667
• Log P: 1.6659094
• Molar Refractivity: 62.7158 cm^3
• Polarizability: 24.838331 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.209

Product Information

• Purity: 95%