4-[1-(piperidin-4-yl)ethyl]morpholine dihydrochloride

• ChemBase ID: 143930
• Molecular Formular: C11H24Cl2N2O
• Molecular Mass: 271.22706
• Monoisotopic Mass: 270.12656876
• SMILES: CC(C1CCNCC1)N1CCOCC1.Cl.Cl
• Canonical SMILES: CC(N1CCOCC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2O.2ClH/c1-10(11-2-4-12-5-3-11)13-6-8-14-9-7-13;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: PIGXRVSYYHCFLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(piperidin-4-yl)ethyl]morpholine dihydrochloride
• IUPAC Traditional name: 4-[1-(piperidin-4-yl)ethyl]morpholine dihydrochloride
• Synonyms: 4-(1-Piperidin-4-ylethyl)morpholine dihydrochloride

Database IDs

• MDL Number: MFCD13186077
• PubChem SID: 162238147
• PubChem CID: 47000641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.648361
• LogD (pH = 7.4): -3.4456427
• Log P: 0.49260297
• Molar Refractivity: 58.4558 cm^3
• Polarizability: 23.27968 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H24Cl2N2O

DETAILS

Sigma Aldrich - CBR00622

Other Notes
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