tert-butyl N-(oxolan-2-ylmethyl)-N-(piperidin-4-yl)carbamate

• ChemBase ID: 282419
• Molecular Formular: C15H28N2O3
• Molecular Mass: 284.39442
• Monoisotopic Mass: 284.20999277
• SMILES: C(=O)(N(CC1OCCC1)C1CCNCC1)OC(C)(C)C
• Canonical SMILES: O=C(N(C1CCNCC1)CC1CCCO1)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17(11-13-5-4-10-19-13)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3
• InChIKey: OPBQFEKVHILSDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(oxolan-2-ylmethyl)-N-(piperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(oxolan-2-ylmethyl)-N-(piperidin-4-yl)carbamate
• Synonyms: tert-butyl N-(oxolan-2-ylmethyl)-N-(piperidin-4-yl)carbamate

Database IDs

• MDL Number: MFCD18089551
• PubChem SID: 180667950
• PubChem CID: 50986370

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.067497
• LogD (pH = 7.4): -1.3825096
• Log P: 1.1526618
• Molar Refractivity: 78.0996 cm^3
• Polarizability: 31.029112 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.96

Product Information

• Purity: 95%