tert-butyl N-(1-cyclopentylpiperidin-4-yl)carbamate

• ChemBase ID: 291341
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: O=C(OC(C)(C)C)NC1CCN(C2CCCC2)CC1
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-12-8-10-17(11-9-12)13-6-4-5-7-13/h12-13H,4-11H2,1-3H3,(H,16,18)
• InChIKey: XNNYFIMWBZGFIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-cyclopentylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-cyclopentylpiperidin-4-yl)carbamate
• Synonyms: tert-Butyl (1-cyclopentylpiperidin-4-yl)carbamate

Database IDs

• CAS Number: 936221-73-7
• MDL Number: MFCD17014352
• PubChem SID: 180676872
• PubChem CID: 53255879

CALCULATED PROPERTIES

• Acid pKa: 15.356284
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1116923
• LogD (pH = 7.4): 0.24256457
• Log P: 2.2481465
• Molar Refractivity: 76.6561 cm^3
• Polarizability: 30.32565 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%