methyl N-[2-(piperidin-2-yl)ethyl]carbamate

• ChemBase ID: 34526
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: C1CNC(CC1)CCNC(=O)OC
• Canonical SMILES: COC(=O)NCCC1CCCCN1
• InChI: InChI=1S/C9H18N2O2/c1-13-9(12)11-7-5-8-4-2-3-6-10-8/h8,10H,2-7H2,1H3,(H,11,12)
• InChIKey: CWJYPPMHLRZGPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-[2-(piperidin-2-yl)ethyl]carbamate
• IUPAC Traditional name: methyl N-[2-(piperidin-2-yl)ethyl]carbamate
• Synonyms: Methyl 2-piperidin-2-ylethylcarbamate

Database IDs

• MDL Number: MFCD07365355
• PubChem SID: 160997833
• PubChem CID: 25219508

CALCULATED PROPERTIES

• Acid pKa: 16.037434
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8120937
• LogD (pH = 7.4): -2.3267243
• Log P: 0.4183684
• Molar Refractivity: 50.3882 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false