4-(piperidine-4-carbonyl)morpholine hydrochloride

• ChemBase ID: 15738
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: N1CCC(CC1)C(=O)N1CCOCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)C1CCNCC1.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c13-10(9-1-3-11-4-2-9)12-5-7-14-8-6-12;/h9,11H,1-8H2;1H
• InChIKey: YODDNPCNUDVZEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-4-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(piperidine-4-carbonyl)morpholine hydrochloride
• Synonyms: 4-(Piperidin-4-ylcarbonyl)morpholine hydrochloride; morpholino(4-piperidinyl)methanone hydrochloride; 4-(4-piperidinylcarbonyl)morpholine hydrochloride; Morpholino(piperidin-4-yl)methanone hydrochloride; (Morpholin-4-yl)(piperidin-4-yl)methanone hydrochloride; 4-(Piperidin-4-ylcarbonyl)morpholine hydrochloride 90%

Database IDs

• CAS Number: 63214-57-3; 94467-73-9
• MDL Number: MFCD05864747
• PubChem SID: 160979045
• PubChem CID: 2794689

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

• Melting Point: 279-286; 279-286°C; 291 - 293°C
• Hydrophobicity(logP): -1.201

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 95%; 95+%
• Salt Data: HCl