4-(piperidin-3-yl)morpholine dihydrochloride

• ChemBase ID: 47982
• Molecular Formular: C9H20Cl2N2O
• Molecular Mass: 243.1739
• Monoisotopic Mass: 242.09526863
• SMILES: N1(C2CNCCC2)CCOCC1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2O.2ClH/c1-2-9(8-10-3-1)11-4-6-12-7-5-11;;/h9-10H,1-8H2;2*1H
• InChIKey: KFISTJJMJNYLLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1124199-56-9
• MDL Number: MFCD13561539
• PubChem SID: 162052745
• PubChem CID: 53409897

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3406174
• LogD (pH = 7.4): -2.3594317
• Log P: 0.07283013
• Molar Refractivity: 48.9982 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false