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

• ChemBase ID: 256817
• Molecular Formular: C12H23ClN2O2
• Molecular Mass: 262.77622
• Monoisotopic Mass: 262.14480567
• SMILES: N1(C(=O)C2CCNCC2)CC(OC(C1)C)C.Cl
• Canonical SMILES: CC1OC(C)CN(C1)C(=O)C1CCNCC1.Cl
• InChI: InChI=1S/C12H22N2O2.ClH/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;1H
• InChIKey: KVHHHHZMSVGACL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-(piperidine-4-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 2,6-dimethyl-4-(piperidine-4-carbonyl)morpholine hydrochloride
• Synonyms: 2,6-dimethyl-4-(piperidin-4-ylcarbonyl)morpholine hydrochloride

Database IDs

• MDL Number: MFCD11099486
• PubChem SID: 164312727
• PubChem CID: 42933720

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

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): -0.163

Product Information

• Purity: 95%