4-(piperidin-2-ylmethyl)morpholine

• ChemBase ID: 17578
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C1(CN2CCOCC2)CCCCN1
• Canonical SMILES: C1CCC(NC1)CN1CCOCC1
• InChI: InChI=1S/C10H20N2O/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12/h10-11H,1-9H2
• InChIKey: CTJYUVGVMCELLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-2-ylmethyl)morpholine
• IUPAC Traditional name: 4-(piperidin-2-ylmethyl)morpholine
• Synonyms: 4-Piperidin-2-ylmethyl-morpholine; 4-(piperidin-2-ylmethyl)morpholine

Database IDs

• CAS Number: 81310-58-9
• MDL Number: MFCD05215079
• PubChem SID: 160980885
• PubChem CID: 3163395

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.846287
• LogD (pH = 7.4): -1.9908009
• Log P: 0.5173988
• Molar Refractivity: 53.5992 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.413

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%