tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate

• ChemBase ID: 272257
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C(=O)(N(C1(CCNCC1)C)C)OC(C)(C)C
• Canonical SMILES: CN(C1(C)CCNCC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14(5)12(4)6-8-13-9-7-12/h13H,6-9H2,1-5H3
• InChIKey: GPCLQDJDTKRXAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
• Synonyms: tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate

Database IDs

• MDL Number: MFCD18380633
• PubChem SID: 164328167
• PubChem CID: 50988935

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.204439
• LogD (pH = 7.4): -1.5033631
• Log P: 1.0146494
• Molar Refractivity: 64.4831 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.806

Product Information

• Purity: 95%