tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate

• ChemBase ID: 274309
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C(=O)(NCC1NCCCC1C)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC1NCCCC1C
• InChI: InChI=1S/C12H24N2O2/c1-9-6-5-7-13-10(9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
• InChIKey: AYNCOHNAZBUURJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate
• IUPAC Traditional name: tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate
• Synonyms: tert-butyl N-[(3-methylpiperidin-2-yl)methyl]carbamate

Database IDs

• MDL Number: MFCD18327013
• PubChem SID: 164330219
• PubChem CID: 63305138

CALCULATED PROPERTIES

• Acid pKa: 15.371407
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4243155
• LogD (pH = 7.4): -0.5250106
• Log P: 1.7773411
• Molar Refractivity: 63.8 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.648

Product Information

• Purity: 95%