2,6-dimethyl-4-(piperidine-4-carbonyl)morpholine

• ChemBase ID: 265026
• Molecular Formular: C12H22N2O2
• Molecular Mass: 226.31528
• Monoisotopic Mass: 226.16812795
• SMILES: N1(C(=O)C2CCNCC2)CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)C1CCNCC1
• InChI: InChI=1S/C12H22N2O2/c1-9-7-14(8-10(2)16-9)12(15)11-3-5-13-6-4-11/h9-11,13H,3-8H2,1-2H3
• InChIKey: RLABXLCBRJRUIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(piperidine-4-carbonyl)morpholine
• IUPAC Traditional name: 2,6-dimethyl-4-(piperidine-4-carbonyl)morpholine
• Synonyms: 2,6-dimethyl-4-[(piperidin-4-yl)carbonyl]morpholine

Database IDs

• MDL Number: MFCD08444975
• PubChem SID: 164320936
• PubChem CID: 16228402

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0906832
• LogD (pH = 7.4): -2.5062442
• Log P: 0.1352913
• Molar Refractivity: 62.603 cm^3
• Polarizability: 24.80672 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.163

Product Information

• Purity: 95%