2,6-dimethyl-4-(piperidin-4-yl)morpholine dihydrochloride

• ChemBase ID: 259400
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(CC(OC(C1)C)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CC1OC(C)CN(C1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-9-7-13(8-10(2)14-9)11-3-5-12-6-4-11;;/h9-12H,3-8H2,1-2H3;2*1H
• InChIKey: QAECYNOAAVFDNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08448215
• PubChem SID: 164315310
• PubChem CID: 42948939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3171196
• LogD (pH = 7.4): -2.4076598
• Log P: 0.44857726
• Molar Refractivity: 58.0566 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 309 - 311°C
• Hydrophobicity(logP): 0.608

Product Information

• Purity: 95%