tert-butyl N-[3-(piperidin-4-yloxy)phenyl]carbamate

• ChemBase ID: 274958
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: C(=O)(Nc1cc(OC2CCNCC2)ccc1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)Nc1cccc(c1)OC1CCNCC1
• InChI: InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-12-5-4-6-14(11-12)20-13-7-9-17-10-8-13/h4-6,11,13,17H,7-10H2,1-3H3,(H,18,19)
• InChIKey: AXPLALRFOUTGMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[3-(piperidin-4-yloxy)phenyl]carbamate
• IUPAC Traditional name: tert-butyl N-[3-(piperidin-4-yloxy)phenyl]carbamate
• Synonyms: tert-butyl N-[3-(piperidin-4-yloxy)phenyl]carbamate

Database IDs

• MDL Number: MFCD18839034
• PubChem SID: 164330868
• PubChem CID: 54593440

CALCULATED PROPERTIES

• Acid pKa: 12.8409605
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.83710366
• LogD (pH = 7.4): 0.0072252764
• Log P: 2.3702939
• Molar Refractivity: 82.9698 cm^3
• Polarizability: 32.104862 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.507

Product Information

• Purity: 95%