2-(piperidine-1-carbonyl)morpholine hydrochloride

• ChemBase ID: 62251
• Molecular Formular: C10H19ClN2O2
• Molecular Mass: 234.72306
• Monoisotopic Mass: 234.11350554
• SMILES: C(=O)(N1CCCCC1)C1OCCNC1.Cl
• Canonical SMILES: O=C(N1CCCCC1)C1CNCCO1.Cl
• InChI: InChI=1S/C10H18N2O2.ClH/c13-10(9-8-11-4-7-14-9)12-5-2-1-3-6-12;/h9,11H,1-8H2;1H
• InChIKey: BSZUBVQREKDEJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidine-1-carbonyl)morpholine hydrochloride
• IUPAC Traditional name: 2-(piperidine-1-carbonyl)morpholine hydrochloride
• Synonyms: Morpholin-2-yl-piperidin-1-yl-methanone hydrochloride

Database IDs

• MDL Number: MFCD16621945
• PubChem SID: 162027990
• PubChem CID: 71298615

CALCULATED PROPERTIES

• Acid pKa: 17.99253
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.4239972
• LogD (pH = 7.4): -0.7276043
• 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false