2-(piperidin-1-ylmethyl)morpholine

• ChemBase ID: 30018
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(CC2OCCNC2)CCCCC1
• Canonical SMILES: C1CCN(CC1)CC1CNCCO1
• InChI: InChI=1S/C10H20N2O/c1-2-5-12(6-3-1)9-10-8-11-4-7-13-10/h10-11H,1-9H2
• InChIKey: AZDXOXWFGNQSPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-ylmethyl)morpholine
• IUPAC Traditional name: 2-(piperidin-1-ylmethyl)morpholine
• Synonyms: 2-Piperidin-1-ylmethyl-morpholine

Database IDs

• MDL Number: MFCD00770012
• PubChem SID: 160993325
• PubChem CID: 6486629

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.0244403
• LogD (pH = 7.4): -1.4993008
• Log P: 0.5173988
• Molar Refractivity: 53.5992 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