4-[3-(piperidin-4-yl)propyl]morpholine

• ChemBase ID: 248537
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N1(CCCC2CCNCC2)CCOCC1
• Canonical SMILES: N1CCC(CC1)CCCN1CCOCC1
• InChI: InChI=1S/C12H24N2O/c1(2-12-3-5-13-6-4-12)7-14-8-10-15-11-9-14/h12-13H,1-11H2
• InChIKey: QDEFYZOKTUSAER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(piperidin-4-yl)propyl]morpholine
• IUPAC Traditional name: 4-[3-(piperidin-4-yl)propyl]morpholine
• Synonyms: 4-[3-(piperidin-4-yl)propyl]morpholine

Database IDs

• MDL Number: MFCD16693182
• PubChem SID: 164304447
• PubChem CID: 54404787

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4388185
• LogD (pH = 7.4): -2.305384
• Log P: 0.88721156
• Molar Refractivity: 63.316 cm^3
• Polarizability: 25.1236 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.456

Product Information

• Purity: 95%