N-tert-butylpiperidine-2-carboxamide

• ChemBase ID: 267878
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C(=O)(NC(C)(C)C)C1NCCCC1
• Canonical SMILES: O=C(C1CCCCN1)NC(C)(C)C
• InChI: InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• InChIKey: BZRGONFHSWNSQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butylpiperidine-2-carboxamide
• IUPAC Traditional name: N-tert-butylpiperidine-2-carboxamide
• Synonyms: N-tert-butylpiperidine-2-carboxamide

Database IDs

• MDL Number: MFCD09815738
• PubChem SID: 164323788
• PubChem CID: 3318550

CALCULATED PROPERTIES

• Acid pKa: 15.86286
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1846225
• LogD (pH = 7.4): -0.6641599
• Log P: 0.81812036
• Molar Refractivity: 53.1898 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 1.205

Product Information

• Purity: 95%