4-(piperidine-2-carbonyl)morpholine hydrochloride

• ChemBase ID: 48934
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: C(=O)(N1CCOCC1)C1NCCCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)C1CCCCN1.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c13-10(9-3-1-2-4-11-9)12-5-7-14-8-6-12;/h9,11H,1-8H2;1H
• InChIKey: QTMPLCRQSUNTJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidine-2-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 4-(piperidine-2-carbonyl)morpholine hydrochloride
• Synonyms: morpholino(2-piperidinyl)methanone hydrochloride; 4-[(piperidin-2-yl)carbonyl]morpholine hydrochloride; 4-Morpholinyl(2-piperidinyl)methanone hydrochloride; Morpholino(piperidin-2-yl)methanone hydrochloride; 4-(Piperidin-2-ylcarbonyl)morpholine hydrochloride 97%

Database IDs

• CAS Number: 690634-79-8
• MDL Number: MFCD05865124
• PubChem SID: 162053697
• PubChem CID: 2794699

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2406607
• LogD (pH = 7.4): -1.7294265
• Log P: -0.23066367
• Molar Refractivity: 53.3554 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: 291-293°C
• Hydrophobicity(logP): 0.517

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95%; 97%