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

• ChemBase ID: 275626
• Molecular Formular: C11H23N3O
• Molecular Mass: 213.31982
• Monoisotopic Mass: 213.18411237
• SMILES: N1(CC(N)CCC1)CCN1CCOCC1
• Canonical SMILES: NC1CCCN(C1)CCN1CCOCC1
• InChI: InChI=1S/C11H23N3O/c12-11-2-1-3-14(10-11)5-4-13-6-8-15-9-7-13/h11H,1-10,12H2
• InChIKey: ABFKXZHGLYVTGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14617886
• PubChem SID: 164331536
• PubChem CID: 54593784

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.1535263
• LogD (pH = 7.4): -2.8260632
• Log P: -0.34110573
• Molar Refractivity: 62.2427 cm^3
• Polarizability: 24.80531 Å^3
• Polar Surface Area: 41.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.404

Product Information

• Purity: 95%