4-[2-(piperidin-3-yl)ethyl]morpholine dihydrochloride

• ChemBase ID: 48096
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: N1(CCC2CNCCC2)CCOCC1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)CCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-2-11(10-12-4-1)3-5-13-6-8-14-9-7-13;;/h11-12H,1-10H2;2*1H
• InChIKey: RBYQWJZYSROWCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-3-yl)ethyl]morpholine dihydrochloride
• IUPAC Traditional name: 4-[2-(piperidin-3-yl)ethyl]morpholine dihydrochloride
• Synonyms: 4-[2-(3-Piperidinyl)ethyl]morpholine dihydrochloride

Database IDs

• MDL Number: MFCD13561638
• PubChem SID: 162052859
• PubChem CID: 56831655

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0226207
• LogD (pH = 7.4): -2.909471
• Log P: 0.5205966
• Molar Refractivity: 58.638 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