N-(2-methoxyethyl)-1-methylpiperidin-4-amine

• ChemBase ID: 10531
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: C1N(CCC(C1)NCCOC)C
• Canonical SMILES: COCCNC1CCN(CC1)C
• InChI: InChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)10-5-8-12-2/h9-10H,3-8H2,1-2H3
• InChIKey: YZYMRSNKBLZRJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-(2-methoxyethyl)-1-methylpiperidin-4-amine
• Synonyms: N-(2-Methoxyethyl)-methylpiperidin-4-amine; 4-[(2-Methoxyethyl)amino]-1-methylpiperidine; N-(2-methoxyethyl)-1-methylpiperidin-4-amine

Database IDs

• CAS Number: 416887-38-2
• MDL Number: MFCD01826433
• PubChem SID: 160973838
• PubChem CID: 2761027

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.3508644
• LogD (pH = 7.4): -3.074917
• Log P: -0.21304785
• Molar Refractivity: 51.188 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-64°C/0.022mm; 62-64°C/0.03mm

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false