4-(piperidin-3-ylmethyl)morpholine

• ChemBase ID: 16965
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: C1(CN2CCOCC2)CCCNC1
• Canonical SMILES: C1CCC(CN1)CN1CCOCC1
• InChI: InChI=1S/C10H20N2O/c1-2-10(8-11-3-1)9-12-4-6-13-7-5-12/h10-11H,1-9H2
• InChIKey: ALFVQZQTMWKLKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-ylmethyl)morpholine
• IUPAC Traditional name: 4-(piperidin-3-ylmethyl)morpholine
• Synonyms: 4-Piperidin-3-ylmethyl-morpholine; 4-(piperidin-3-ylmethyl)morpholine

Database IDs

• CAS Number: 81310-60-3
• MDL Number: MFCD05022469
• PubChem SID: 160980272
• PubChem CID: 3157479

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.2335443
• LogD (pH = 7.4): -2.7644305
• Log P: 0.11758468
• Molar Refractivity: 53.9382 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): 0.596

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%