4-(piperidine-4-carbonyl)morpholine

• ChemBase ID: 116052
• Molecular Formular: C10H18N2O2
• Molecular Mass: 198.26212
• Monoisotopic Mass: 198.13682783
• SMILES: C(=O)(N1CCOCC1)C1CCNCC1
• Canonical SMILES: O=C(N1CCOCC1)C1CCNCC1
• InChI: InChI=1S/C10H18N2O2/c13-10(9-1-3-11-4-2-9)12-5-7-14-8-6-12/h9,11H,1-8H2
• InChIKey: UVDVXQHUTBCRKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(piperidine-4-carbonyl)morpholine
• Synonyms: 4-(4-piperidinylcarbonyl)morpholine; 4-(piperidin-4-ylcarbonyl)morpholine hydrochloride

Database IDs

• CAS Number: 63214-57-3
• MDL Number: MFCD05864747; MFCD03372501
• PubChem SID: 162101434
• PubChem CID: 1520211

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.92383
• LogD (pH = 7.4): -3.3393943
• Log P: -0.69785875
• Molar Refractivity: 53.7654 cm^3
• Polarizability: 21.132917 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.734

Product Information

• Purity: 95+%
• Salt Data: HCl