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

• ChemBase ID: 17752
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: C1(CCN2CCOCC2)CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)CCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-4-12-5-2-11(1)3-6-13-7-9-14-10-8-13;;/h11-12H,1-10H2;2*1H
• InChIKey: TYQNRCVLEZKOPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11506364
• PubChem SID: 160981059
• PubChem CID: 46735530

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.1031637
• LogD (pH = 7.4): -2.9076767
• Log P: 0.4426429
• Molar Refractivity: 58.715 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