tert-butyl N-[4-methyl-2-(piperidin-4-yl)pentyl]carbamate

• ChemBase ID: 274502
• Molecular Formular: C16H32N2O2
• Molecular Mass: 284.43748
• Monoisotopic Mass: 284.24637827
• SMILES: C(=O)(NCC(CC(C)C)C1CCNCC1)OC(C)(C)C
• Canonical SMILES: CC(CC(C1CCNCC1)CNC(=O)OC(C)(C)C)C
• InChI: InChI=1S/C16H32N2O2/c1-12(2)10-14(13-6-8-17-9-7-13)11-18-15(19)20-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)
• InChIKey: WLHOWEKATKWNAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[4-methyl-2-(piperidin-4-yl)pentyl]carbamate
• IUPAC Traditional name: tert-butyl N-[4-methyl-2-(piperidin-4-yl)pentyl]carbamate
• Synonyms: tert-butyl N-[4-methyl-2-(piperidin-4-yl)pentyl]carbamate

Database IDs

• MDL Number: MFCD18838847
• PubChem SID: 164330412
• PubChem CID: 54593204

CALCULATED PROPERTIES

• Acid pKa: 16.056719
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.35282534
• LogD (pH = 7.4): 0.10406552
• Log P: 2.8787417
• Molar Refractivity: 82.6664 cm^3
• Polarizability: 32.895855 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.695

Product Information

• Purity: 95%