1-(2-methoxyethyl)piperidin-4-amine

• ChemBase ID: 264266
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CCC(CC1)N)CCOC
• Canonical SMILES: COCCN1CCC(CC1)N
• InChI: InChI=1S/C8H18N2O/c1-11-7-6-10-4-2-8(9)3-5-10/h8H,2-7,9H2,1H3
• InChIKey: ILMDRDDKNWKCNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperidin-4-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)piperidin-4-amine
• Synonyms: 1-(2-methoxyethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09759182
• PubChem SID: 164320176
• PubChem CID: 20119121

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.141676
• LogD (pH = 7.4): -4.065998
• Log P: -0.6456283
• Molar Refractivity: 46.4134 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.423

Product Information

• Purity: 95%