tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate

• ChemBase ID: 248932
• Molecular Formular: C14H26N2O3
• Molecular Mass: 270.36784
• Monoisotopic Mass: 270.1943427
• SMILES: C(=O)(N1CCC(CC(=O)N(C)C)CC1)OC(C)(C)C
• Canonical SMILES: O=C(N(C)C)CC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-8-6-11(7-9-16)10-12(17)15(4)5/h11H,6-10H2,1-5H3
• InChIKey: MSUGPNQSGVJWMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate
• Synonyms: tert-butyl 4-[(dimethylcarbamoyl)methyl]piperidine-1-carboxylate

Database IDs

• PubChem SID: 164304842
• PubChem CID: 52775546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9924337
• LogD (pH = 7.4): 0.99243623
• Log P: 0.99243623
• Molar Refractivity: 74.2611 cm^3
• Polarizability: 28.917408 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.362

Product Information

• Purity: 95%