4-(piperidin-3-ylmethyl)morpholine dihydrochloride

• ChemBase ID: 47926
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(CC2CNCCC2)CCOCC1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c1-2-10(8-11-3-1)9-12-4-6-13-7-5-12;;/h10-11H,1-9H2;2*1H
• InChIKey: ZYHCTMZHOUHKFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-ylmethyl)morpholine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-3-ylmethyl)morpholine dihydrochloride
• Synonyms: 4-(3-Piperidinylmethyl)morpholine dihydrochloride

Database IDs

• CAS Number: 81310-60-3
• MDL Number: MFCD13250093
• PubChem SID: 162052689
• PubChem CID: 20494056

CALCULATED PROPERTIES

• LogD (pH = 5.5): -4.2335443
• LogD (pH = 7.4): -2.7644305
• Log P: 0.11758468
• Molar Refractivity: 53.9382 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false