2,6-dimethyl-4-[2-(piperidin-4-yl)ethyl]morpholine

• ChemBase ID: 235422
• Molecular Formular: C13H26N2O
• Molecular Mass: 226.35834
• Monoisotopic Mass: 226.20451346
• SMILES: N1(CC(OC(C1)C)C)CCC1CCNCC1
• Canonical SMILES: CC1CN(CCC2CCNCC2)CC(O1)C
• InChI: InChI=1S/C13H26N2O/c1-11-9-15(10-12(2)16-11)8-5-13-3-6-14-7-4-13/h11-14H,3-10H2,1-2H3
• InChIKey: VAXHDQLLHKKJFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-[2-(piperidin-4-yl)ethyl]morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-[2-(piperidin-4-yl)ethyl]morpholine
• Synonyms: 2,6-dimethyl-4-[2-(piperidin-4-yl)ethyl]morpholine

Database IDs

• MDL Number: MFCD10691694
• PubChem SID: 164291332
• PubChem CID: 43149909

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.8028755
• LogD (pH = 7.4): -2.5898268
• Log P: 1.275793
• Molar Refractivity: 67.5526 cm^3
• Polarizability: 26.967915 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.846

Product Information

• Purity: 95%