4-(piperidin-4-ylmethyl)morpholine dihydrochloride

• ChemBase ID: 47955
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CC2CCNCC2)CCOCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c1-3-11-4-2-10(1)9-12-5-7-13-8-6-12;;/h10-11H,1-9H2;2*1H
• InChIKey: DRAWGXYWPRKLOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-ylmethyl)morpholine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-4-ylmethyl)morpholine dihydrochloride
• Synonyms: 4-(4-Piperidinylmethyl)morpholine dihydrochloride; 4-(piperidin-4-ylmethyl)morpholine dihydrochloride

Database IDs

• CAS Number: 81310-62-5
• MDL Number: MFCD13561513
• PubChem SID: 162052718
• PubChem CID: 53409917

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.8387127
• LogD (pH = 7.4): -3.6065905
• Log P: 0.07602795
• Molar Refractivity: 54.037 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false