(2-methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine

• ChemBase ID: 245476
• Molecular Formular: C12H26N2O
• Molecular Mass: 214.34764
• Monoisotopic Mass: 214.20451346
• SMILES: N1CCC(CCCN(CCOC)C)CC1
• Canonical SMILES: COCCN(CCCC1CCNCC1)C
• InChI: InChI=1S/C12H26N2O/c1-14(10-11-15-2)9-3-4-12-5-7-13-8-6-12/h12-13H,3-11H2,1-2H3
• InChIKey: DBFKYYJTCHCDRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
• IUPAC Traditional name: (2-methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
• Synonyms: (2-methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine

Database IDs

• MDL Number: MFCD16693245
• PubChem SID: 164301386
• PubChem CID: 62212503

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.5222898
• LogD (pH = 7.4): -3.6872914
• Log P: 1.0587364
• Molar Refractivity: 65.285 cm^3
• Polarizability: 25.857798 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%