4-(piperidin-3-yl)morpholine hydrochloride

• ChemBase ID: 62462
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: N1(C2CNCCC2)CCOCC1.Cl
• Canonical SMILES: C1CCC(CN1)N1CCOCC1.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-2-9(8-10-3-1)11-4-6-12-7-5-11;/h9-10H,1-8H2;1H
• InChIKey: HWULQHNQXBLZLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-yl)morpholine hydrochloride
• IUPAC Traditional name: 4-(piperidin-3-yl)morpholine hydrochloride
• Synonyms: 4-Piperidin-3-yl-morpholine hydrochloride

Database IDs

• MDL Number: MFCD16621903
• PubChem SID: 162028201
• PubChem CID: 71298730

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