N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride

• ChemBase ID: 260279
• Molecular Formular: C13H27Cl2N3O2
• Molecular Mass: 328.27838
• Monoisotopic Mass: 327.14803248
• SMILES: C(=O)(C1CCNCC1)NCCCN1CCOCC1.Cl.Cl
• Canonical SMILES: O=C(C1CCNCC1)NCCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C13H25N3O2.2ClH/c17-13(12-2-5-14-6-3-12)15-4-1-7-16-8-10-18-11-9-16;;/h12,14H,1-11H2,(H,15,17);2*1H
• InChIKey: ODBKUIUAFXSKBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride
• IUPAC Traditional name: N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride
• Synonyms: N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide dihydrochloride

Database IDs

• MDL Number: MFCD12197157
• PubChem SID: 164316189
• PubChem CID: 45791534

CALCULATED PROPERTIES

• Acid pKa: 16.042717
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.582067
• LogD (pH = 7.4): -3.6311362
• Log P: -0.84293056
• Molar Refractivity: 71.7532 cm^3
• Polarizability: 28.173874 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): -0.728

Product Information

• Purity: 95%