1-(morpholine-4-carbonyl)piperidin-4-amine

• ChemBase ID: 55506
• Molecular Formular: C10H19N3O2
• Molecular Mass: 213.27676
• Monoisotopic Mass: 213.14772686
• SMILES: C1OCCN(C1)C(=O)N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C10H19N3O2/c11-9-1-3-12(4-2-9)10(14)13-5-7-15-8-6-13/h9H,1-8,11H2
• InChIKey: GIIKHDPHNRGQMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholine-4-carbonyl)piperidin-4-amine
• IUPAC Traditional name: 1-(morpholine-4-carbonyl)piperidin-4-amine
• Synonyms: 1-(Morpholin-4-ylcarbonyl)piperidin-4-amine hydrochloride; 1-(4-morpholinylcarbonyl)-4-piperidinamine

Database IDs

• CAS Number: 412356-46-8
• MDL Number: MFCD18064609; MFCD15202379
• PubChem SID: 162060269
• PubChem CID: 51072285

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.4942775
• LogD (pH = 7.4): -3.9253094
• Log P: -1.4764522
• Molar Refractivity: 57.1857 cm^3
• Polarizability: 22.283697 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false