ethyl N-methyl-N-(piperidin-4-yl)carbamate hydrochloride

• ChemBase ID: 268659
• Molecular Formular: C9H19ClN2O2
• Molecular Mass: 222.71236
• Monoisotopic Mass: 222.11350554
• SMILES: C(=O)(N(C1CCNCC1)C)OCC.Cl
• Canonical SMILES: CCOC(=O)N(C1CCNCC1)C.Cl
• InChI: InChI=1S/C9H18N2O2.ClH/c1-3-13-9(12)11(2)8-4-6-10-7-5-8;/h8,10H,3-7H2,1-2H3;1H
• InChIKey: ALHYFWMGJPHOLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-methyl-N-(piperidin-4-yl)carbamate hydrochloride
• IUPAC Traditional name: ethyl N-methyl-N-(piperidin-4-yl)carbamate hydrochloride
• Synonyms: ethyl N-methyl-N-(piperidin-4-yl)carbamate hydrochloride

Database IDs

• MDL Number: MFCD10565854
• PubChem SID: 164324569
• PubChem CID: 47003385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1832387
• LogD (pH = 7.4): -2.4982648
• Log P: 0.036921084
• Molar Refractivity: 50.7879 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): 0.579

Product Information

• Purity: 95%