4-(piperidine-3-carbonyl)morpholine hydrochloride

• ChemBase ID: 48963
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: C(=O)(N1CCOCC1)C1CNCCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)C1CCCNC1.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12;/h9,11H,1-8H2;1H
• InChIKey: KZAUFPFMFDLANY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-3-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(piperidine-3-carbonyl)morpholine hydrochloride
• Synonyms: 4-Morpholinyl(3-piperidinyl)methanone hydrochloride; 4-(piperidin-3-ylcarbonyl)morpholine hydrochloride

Database IDs

• CAS Number: 35090-96-1
• MDL Number: MFCD07781104
• PubChem SID: 162053726
• PubChem CID: 17552706

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7279472
• LogD (pH = 7.4): -2.7095149
• Log P: -0.5419513
• Molar Refractivity: 53.6114 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

• Melting Point: 289 - 291°C
• Hydrophobicity(logP): 0.034

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl