4-[2-(piperidin-2-yl)ethyl]morpholine

• ChemBase ID: 16132
• Molecular Formular: C11H22N2O
• Molecular Mass: 198.30518
• Monoisotopic Mass: 198.17321333
• SMILES: N1(CCC2NCCCC2)CCOCC1
• Canonical SMILES: C1CCC(NC1)CCN1CCOCC1
• InChI: InChI=1S/C11H22N2O/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13/h11-12H,1-10H2
• InChIKey: FUJBQZFRRCQXTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-2-yl)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(piperidin-2-yl)ethyl]morpholine
• Synonyms: 4-(2-(piperidin-2-yl)ethyl)morpholine; 4-(2-Piperidin-2-yl-ethyl)-morpholine; 4-(2-piperidin-2-ylethyl)morpholine

Database IDs

• CAS Number: 216985-68-1
• MDL Number: MFCD00828630
• PubChem SID: 160979439
• PubChem CID: 2772400

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4013596
• LogD (pH = 7.4): -2.3184087
• Log P: 0.57735854
• Molar Refractivity: 58.4646 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false