tert-butyl 4-butylidenepiperidine-1-carboxylate

• ChemBase ID: 63500
• Molecular Formular: C14H25NO2
• Molecular Mass: 239.3538
• Monoisotopic Mass: 239.18852905
• SMILES: C(=O)(N1CCC(=CCCC)CC1)OC(C)(C)C
• Canonical SMILES: CCCC=C1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H25NO2/c1-5-6-7-12-8-10-15(11-9-12)13(16)17-14(2,3)4/h7H,5-6,8-11H2,1-4H3
• InChIKey: YKBHFSWRSVCBCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-butylidenepiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-butylidenepiperidine-1-carboxylate
• Synonyms: tert-Butyl 4-butylidenepiperidine-1-carboxylate

Database IDs

• CAS Number: 1198287-32-9
• MDL Number: MFCD13191674
• PubChem SID: 162029239
• PubChem CID: 22970158

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1558263
• LogD (pH = 7.4): 3.1558263
• Log P: 3.1558263
• Molar Refractivity: 71.0321 cm^3
• Polarizability: 27.443905 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

Product Information

• Purity: >95%