3-amino-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one

• ChemBase ID: 248961
• Molecular Formular: C11H21N3O2
• Molecular Mass: 227.30334
• Monoisotopic Mass: 227.16337693
• SMILES: C1(=O)N(CCN2CCOCC2)CCCC1N
• Canonical SMILES: NC1CCCN(C1=O)CCN1CCOCC1
• InChI: InChI=1S/C11H21N3O2/c12-10-2-1-3-14(11(10)15)5-4-13-6-8-16-9-7-13/h10H,1-9,12H2
• InChIKey: RWEVBTFNAVYGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one
• IUPAC Traditional name: 3-amino-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one
• Synonyms: 3-amino-1-[2-(morpholin-4-yl)ethyl]piperidin-2-one

Database IDs

• MDL Number: MFCD19679231
• PubChem SID: 164304871
• PubChem CID: 64236441

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.596362
• LogD (pH = 7.4): -2.1851816
• Log P: -1.0891682
• Molar Refractivity: 61.9989 cm^3
• Polarizability: 24.498173 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.36

Product Information

• Purity: 95%