3-methyl-4-(piperidin-4-yl)morpholine

• ChemBase ID: 269145
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C2CCNCC2)C(COCC1)C
• Canonical SMILES: CC1COCCN1C1CCNCC1
• InChI: InChI=1S/C10H20N2O/c1-9-8-13-7-6-12(9)10-2-4-11-5-3-10/h9-11H,2-8H2,1H3
• InChIKey: OBFRYULEFZNBTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-4-(piperidin-4-yl)morpholine
• IUPAC Traditional name: 3-methyl-4-(piperidin-4-yl)morpholine
• Synonyms: 3-methyl-4-(piperidin-4-yl)morpholine

Database IDs

• MDL Number: MFCD12134339
• PubChem SID: 164325055
• PubChem CID: 43542210

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4945545
• LogD (pH = 7.4): -2.757837
• Log P: 0.03200223
• Molar Refractivity: 53.6378 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.089

Product Information

• Purity: 95%