2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine

• ChemBase ID: 268649
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N1(CC(OC(C1)C)C)CC1CCNCC1
• Canonical SMILES: CC1CN(CC2CCNCC2)CC(O1)C
• InChI: InChI=1S/C12H24N2O/c1-10-7-14(8-11(2)15-10)9-12-3-5-13-6-4-12/h10-13H,3-9H2,1-2H3
• InChIKey: SXCAMRDUPBADFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09041113
• PubChem SID: 164324559
• PubChem CID: 16767739

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.437418
• LogD (pH = 7.4): -3.3198125
• Log P: 0.909178
• Molar Refractivity: 62.8746 cm^3
• Polarizability: 25.1236 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.317

Product Information

• Purity: 95%